1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine

C18H28N2O — CID 83137977

IUPAC1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine
SMILESCc1cc(OCC2CCCC2)ccc1N1CCC(N)CC1
InChIInChI=1S/C18H28N2O/c1-14-12-17(21-13-15-4-2-3-5-15)6-7-18(14)20-10-8-16(19)9-11-20/h6-7,12,15-16H,2-5,8-11,13,19H2,1H3
InChIKeyAWEWJRLGMZNTER-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.49
Rot. Bonds4

About 1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine

1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine (PubChem CID 83137977) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine
PubChem CID83137977
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine
SMILESCc1cc(OCC2CCCC2)ccc1N1CCC(N)CC1
InChIInChI=1S/C18H28N2O/c1-14-12-17(21-13-15-4-2-3-5-15)6-7-18(14)20-10-8-16(19)9-11-20/h6-7,12,15-16H,2-5,8-11,13,19H2,1H3
InChIKeyAWEWJRLGMZNTER-UHFFFAOYSA-N
XLogP3.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine?
The IUPAC name of 1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine (CID 83137977) is 1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine?
The canonical SMILES for 1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine is Cc1cc(OCC2CCCC2)ccc1N1CCC(N)CC1.
What is the InChIKey of 1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine?
The InChIKey is AWEWJRLGMZNTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-12-17(21-13-15-4-2-3-5-15)6-7-18(14)20-10-8-16(19)9-11-20/h6-7,12,15-16H,2-5,8-11,13,19H2,1H3.
What are the key properties of 1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine?
1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine has a molecular weight of 288.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine is sourced from PubChem (CID 83137977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).