2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine

C18H28N2O — CID 19012952

IUPAC2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccccc1CNC1CCCNC1C1CCCC1
InChIInChI=1S/C18H28N2O/c1-21-17-11-5-4-9-15(17)13-20-16-10-6-12-19-18(16)14-7-2-3-8-14/h4-5,9,11,14,16,18-20H,2-3,6-8,10,12-13H2,1H3
InChIKeyVIKAXDBXEJRLEE-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.10
Rot. Bonds5

About 2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine

2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine (PubChem CID 19012952) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
PubChem CID19012952
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccccc1CNC1CCCNC1C1CCCC1
InChIInChI=1S/C18H28N2O/c1-21-17-11-5-4-9-15(17)13-20-16-10-6-12-19-18(16)14-7-2-3-8-14/h4-5,9,11,14,16,18-20H,2-3,6-8,10,12-13H2,1H3
InChIKeyVIKAXDBXEJRLEE-UHFFFAOYSA-N
XLogP3.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 67820293
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
(2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 174286456
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
N-[(2-methoxyphenyl)methyl]-2-phenyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepin-3-amine
CID 57144170

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of 2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine (CID 19012952) is 2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for 2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for 2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine is COc1ccccc1CNC1CCCNC1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is VIKAXDBXEJRLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-17-11-5-4-9-15(17)13-20-16-10-6-12-19-18(16)14-7-2-3-8-14/h4-5,9,11,14,16,18-20H,2-3,6-8,10,12-13H2,1H3.
What are the key properties of 2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 288.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 19012952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).