4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile

C15H20N2O2 — CID 106360637

IUPAC4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CNC2CCCC2CO)cc1
InChIInChI=1S/C15H20N2O2/c16-8-11-4-6-12(7-5-11)15(19)9-17-14-3-1-2-13(14)10-18/h4-7,13-15,17-19H,1-3,9-10H2
InChIKeyHDRWRIWPOUSDBH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.34
Rot. Bonds5

About 4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile

4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile (PubChem CID 106360637) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile
PubChem CID106360637
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CNC2CCCC2CO)cc1
InChIInChI=1S/C15H20N2O2/c16-8-11-4-6-12(7-5-11)15(19)9-17-14-3-1-2-13(14)10-18/h4-7,13-15,17-19H,1-3,9-10H2
InChIKeyHDRWRIWPOUSDBH-UHFFFAOYSA-N
XLogP1.34
TPSA76.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol
CID 106360676
4-[1-hydroxy-2-[(2-methyloxolan-3-yl)amino]ethyl]benzonitrile
CID 82726281
4-[2-[(3-ethylcyclohexyl)amino]-1-hydroxyethyl]benzonitrile
CID 64741066
2-[(2-ethylcyclopentyl)amino]-1-phenylethanol
CID 115706038
1-(2-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 106360636
4-[1-hydroxy-2-(oxolan-3-ylamino)ethyl]benzonitrile
CID 80713472
4-[2-(dicyclopropylmethylamino)-1-hydroxyethyl]benzonitrile
CID 61479682
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile
CID 106360707
1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol
CID 104934482
4-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
CID 60904428
(1S)-2-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]-1-(3-nitrophenyl)ethanol
CID 129435834
2-[[2-(hydroxymethyl)cyclohexyl]amino]-1-(3-nitrophenyl)ethanol
CID 86816929

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile (CID 106360637) is 4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile is N#Cc1ccc(C(O)CNC2CCCC2CO)cc1.
What is the InChIKey of 4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile?
The InChIKey is HDRWRIWPOUSDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-8-11-4-6-12(7-5-11)15(19)9-17-14-3-1-2-13(14)10-18/h4-7,13-15,17-19H,1-3,9-10H2.
What are the key properties of 4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile?
4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile is sourced from PubChem (CID 106360637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).