Chemical ID: 4277330

CN1C2CCC1CC(C2)OC(=O)CCN3CCCCC3
Chemical ID:
4277330
Name [?]:
(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 3-(1-piperidyl)propanoate
SMILES [?]:
CN1C2CCC1CC(C2)OC(=O)CCN3CCCCC3
InChi [?]:
InChI=1/C16H28N2O2/c1-17-13-5-6-14(17)12-15(11-13)20-16(19)7-10-18-8-3-2-4-9-18/h13-15H,2-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,4,5,13,16,20,14,9,7,3,6,8,11,2,15,12,10/E:(3,4)(5,6)(8,9)(11,12)(13,14)/rA:20cCNCCCCCCCOCOCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;s10;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H28N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:9.9858
Area:486.559
Solvation:-2.17817
Coulombic:-28.0861
Bond Count [?]
All:22
Single:21
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.406
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.76
LogP (Chemaxon):1.08

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Descriptor Annotations

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