4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile

C23H26N2O — CID 171773543

IUPAC4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(CC3CNCCO3)c2C2CCCC2)cc1
InChIInChI=1S/C23H26N2O/c24-15-17-8-10-18(11-9-17)22-7-3-6-20(14-21-16-25-12-13-26-21)23(22)19-4-1-2-5-19/h3,6-11,19,21,25H,1-2,4-5,12-14,16H2
InChIKeyOHCGDEALXBAFAA-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.41
Rot. Bonds4

About 4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile

4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile (PubChem CID 171773543) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile
PubChem CID171773543
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(CC3CNCCO3)c2C2CCCC2)cc1
InChIInChI=1S/C23H26N2O/c24-15-17-8-10-18(11-9-17)22-7-3-6-20(14-21-16-25-12-13-26-21)23(22)19-4-1-2-5-19/h3,6-11,19,21,25H,1-2,4-5,12-14,16H2
InChIKeyOHCGDEALXBAFAA-UHFFFAOYSA-N
XLogP4.41
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-pyridin-3-ylphenyl)methyl]morpholine
CID 173109639
2-fluoro-4-[2-(4-fluoro-1,3-oxazol-5-yl)-3-[[(2R)-morpholin-2-yl]methyl]phenyl]benzonitrile
CID 171773521
4-(morpholin-2-ylmethylsulfanyl)benzonitrile
CID 123849693
2-fluoro-4-[3-[[(2S)-morpholin-2-yl]methyl]-2-(1,2-thiazol-5-yl)phenyl]benzonitrile
CID 171773685
2-fluoro-4-[3-(morpholin-2-ylmethyl)-2-(1,3-oxazol-4-yl)phenyl]benzonitrile
CID 171773651
2-fluoro-4-[2-(4-methyl-2,3-dihydro-1,2-thiazol-5-yl)-3-(morpholin-2-ylmethyl)phenyl]benzonitrile
CID 175639082
2-[(4-piperidin-3-ylphenyl)methyl]morpholine
CID 116988313
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699
N-(morpholin-2-ylmethoxy)fluoren-9-imine
CID 10334632
2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107118745
4-[2,3-bis(4-cyanophenyl)phenyl]benzonitrile
CID 66870651
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile?
The IUPAC name of 4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile (CID 171773543) is 4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile.
What is the SMILES notation for 4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile?
The canonical SMILES for 4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile is N#Cc1ccc(-c2cccc(CC3CNCCO3)c2C2CCCC2)cc1.
What is the InChIKey of 4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile?
The InChIKey is OHCGDEALXBAFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c24-15-17-8-10-18(11-9-17)22-7-3-6-20(14-21-16-25-12-13-26-21)23(22)19-4-1-2-5-19/h3,6-11,19,21,25H,1-2,4-5,12-14,16H2.
What are the key properties of 4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile?
4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile has a molecular weight of 346.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopentyl-3-(morpholin-2-ylmethyl)phenyl]benzonitrile is sourced from PubChem (CID 171773543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).