2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile

C17H22N2O2 — CID 129483866

IUPAC2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C17H22N2O2/c18-10-13-4-1-2-5-14(13)11-19-8-9-21-12-16(19)15-6-3-7-17(15)20/h1-2,4-5,15-17,20H,3,6-9,11-12H2/t15-,16-,17+/m1/s1
InChIKeyVVUOLYISPDYENP-ZACQAIPSSA-N
MW286.37 g/mol
LogP1.92
Rot. Bonds3

About 2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile

2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile (PubChem CID 129483866) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
PubChem CID129483866
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C17H22N2O2/c18-10-13-4-1-2-5-14(13)11-19-8-9-21-12-16(19)15-6-3-7-17(15)20/h1-2,4-5,15-17,20H,3,6-9,11-12H2/t15-,16-,17+/m1/s1
InChIKeyVVUOLYISPDYENP-ZACQAIPSSA-N
XLogP1.92
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483436
2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129346639
3-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]-4-methoxybenzonitrile
CID 129346536
3-[[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]-4-methoxybenzonitrile
CID 129346535
2-[4-[(2-methylquinolin-4-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 167833631
trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129484142
2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985801
4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
CID 83092917
2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987967
trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129483962
2-[4-[(4-methylquinazolin-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985818
2-[4-[(1-phenylpyrazol-4-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982395

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile (CID 129483866) is 2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile is N#Cc1ccccc1CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O.
What is the InChIKey of 2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
The InChIKey is VVUOLYISPDYENP-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-10-13-4-1-2-5-14(13)11-19-8-9-21-12-16(19)15-6-3-7-17(15)20/h1-2,4-5,15-17,20H,3,6-9,11-12H2/t15-,16-,17+/m1/s1.
What are the key properties of 2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile has a molecular weight of 286.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 129483866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).