1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine

C22H31N3O — CID 131948668

IUPAC1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine
SMILESCOc1ccc(N2CCC(NC(CC(C)C)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H31N3O/c1-17(2)15-22(18-5-4-12-23-16-18)24-19-10-13-25(14-11-19)20-6-8-21(26-3)9-7-20/h4-9,12,16-17,19,22,24H,10-11,13-15H2,1-3H3
InChIKeySTUQHAURULLOHE-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.44
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine

1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine (PubChem CID 131948668) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine
PubChem CID131948668
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine
SMILESCOc1ccc(N2CCC(NC(CC(C)C)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H31N3O/c1-17(2)15-22(18-5-4-12-23-16-18)24-19-10-13-25(14-11-19)20-6-8-21(26-3)9-7-20/h4-9,12,16-17,19,22,24H,10-11,13-15H2,1-3H3
InChIKeySTUQHAURULLOHE-UHFFFAOYSA-N
XLogP4.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine (CID 131948668) is 1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine is COc1ccc(N2CCC(NC(CC(C)C)c3cccnc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine?
The InChIKey is STUQHAURULLOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-17(2)15-22(18-5-4-12-23-16-18)24-19-10-13-25(14-11-19)20-6-8-21(26-3)9-7-20/h4-9,12,16-17,19,22,24H,10-11,13-15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine?
1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine has a molecular weight of 353.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine is sourced from PubChem (CID 131948668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).