Chemical ID: 4178884

CCCN1CCC(CC1)NCc2ccc3c(c2)OCO3
Chemical ID:
4178884
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-1-propyl-piperidin-4-amine
SMILES [?]:
CCCN1CCC(CC1)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C16H24N2O2/c1-2-7-18-8-5-14(6-9-18)17-11-13-3-4-15-16(10-13)20-12-19-15/h3-4,10,14,17H,2,5-9,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,14,6,8,3,5,9,17,11,19,12,7,15,16,10,4,20,18/E:(5,6)(8,9)/rA:20nCCCNCCCCCNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.13746
Area:493.319
Solvation:-3.19551
Coulombic:-30.5757
Bond Count [?]
All:22
Single:19
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.374
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.47
LogP (Chemaxon):2.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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