Chemical ID: 4227558

c1ccc(cc1)COCC(CN2CCCC2)O
Chemical ID:
4227558
Name [?]:
1-benzyloxy-3-pyrrolidin-1-yl-propan-2-ol
SMILES [?]:
c1ccc(cc1)COCC(CN2CCCC2)O
InChi [?]:
InChI=1/C14H21NO2/c16-14(10-15-8-4-5-9-15)12-17-11-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,3,5,13,16,11,7,9,4,10,12,17,8/E:(2,3)(4,5)(6,7)(8,9)/rA:17cCCCCCCCOCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s12s15;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.37942
Area:449.687
Solvation:-4.86276
Coulombic:-30.019
Bond Count [?]
All:18
Single:15
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.42
LogP (Chemaxon):1.72

Name Annotations

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Descriptor Annotations

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