3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline

C17H26N2O — CID 79545058

IUPAC3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESCOc1cccc(NC2CCCC2C2CCCCN2)c1
InChIInChI=1S/C17H26N2O/c1-20-14-7-4-6-13(12-14)19-17-10-5-8-15(17)16-9-2-3-11-18-16/h4,6-7,12,15-19H,2-3,5,8-11H2,1H3
InChIKeyCFYCXJRRPYLGCM-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.42
Rot. Bonds4

About 3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline

3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline (PubChem CID 79545058) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
PubChem CID79545058
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESCOc1cccc(NC2CCCC2C2CCCCN2)c1
InChIInChI=1S/C17H26N2O/c1-20-14-7-4-6-13(12-14)19-17-10-5-8-15(17)16-9-2-3-11-18-16/h4,6-7,12,15-19H,2-3,5,8-11H2,1H3
InChIKeyCFYCXJRRPYLGCM-UHFFFAOYSA-N
XLogP3.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543661
3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine
CID 115376568
3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
CID 79545201
N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544582
N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536668
3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79536883
4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 114838335
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
4-[(2-piperidin-2-ylcyclopentyl)amino]phenol
CID 79545447
3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545806
2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107597064

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline?
The IUPAC name of 3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline (CID 79545058) is 3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline is COc1cccc(NC2CCCC2C2CCCCN2)c1.
What is the InChIKey of 3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline?
The InChIKey is CFYCXJRRPYLGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-14-7-4-6-13(12-14)19-17-10-5-8-15(17)16-9-2-3-11-18-16/h4,6-7,12,15-19H,2-3,5,8-11H2,1H3.
What are the key properties of 3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline?
3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline has a molecular weight of 274.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 79545058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).