1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine

C22H38N2 — CID 142237015

IUPAC1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine
SMILESCCCCCC(C)CCCN1CCC(Nc2ccc(C)cc2)CC1
InChIInChI=1S/C22H38N2/c1-4-5-6-8-19(2)9-7-16-24-17-14-22(15-18-24)23-21-12-10-20(3)11-13-21/h10-13,19,22-23H,4-9,14-18H2,1-3H3
InChIKeyNGTAANMZRTUANF-UHFFFAOYSA-N
MW330.56 g/mol
LogP5.87
Rot. Bonds10

About 1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine

1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine (PubChem CID 142237015) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine
PubChem CID142237015
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC Name1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine
SMILESCCCCCC(C)CCCN1CCC(Nc2ccc(C)cc2)CC1
InChIInChI=1S/C22H38N2/c1-4-5-6-8-19(2)9-7-16-24-17-14-22(15-18-24)23-21-12-10-20(3)11-13-21/h10-13,19,22-23H,4-9,14-18H2,1-3H3
InChIKeyNGTAANMZRTUANF-UHFFFAOYSA-N
XLogP5.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine (CID 142237015) is 1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine is CCCCCC(C)CCCN1CCC(Nc2ccc(C)cc2)CC1.
What is the InChIKey of 1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine?
The InChIKey is NGTAANMZRTUANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2/c1-4-5-6-8-19(2)9-7-16-24-17-14-22(15-18-24)23-21-12-10-20(3)11-13-21/h10-13,19,22-23H,4-9,14-18H2,1-3H3.
What are the key properties of 1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine?
1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine has a molecular weight of 330.56 g/mol, XLogP of 5.87, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 142237015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).