1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine

C17H28N2 — CID 79398279

IUPAC1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine
SMILESCCCCc1ccc(N2CCC(N)C(C)C2C)cc1
InChIInChI=1S/C17H28N2/c1-4-5-6-15-7-9-16(10-8-15)19-12-11-17(18)13(2)14(19)3/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3
InChIKeyZRLBRCOHKJNYIW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine

1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine (PubChem CID 79398279) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine
PubChem CID79398279
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine
SMILESCCCCc1ccc(N2CCC(N)C(C)C2C)cc1
InChIInChI=1S/C17H28N2/c1-4-5-6-15-7-9-16(10-8-15)19-12-11-17(18)13(2)14(19)3/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3
InChIKeyZRLBRCOHKJNYIW-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine (CID 79398279) is 1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine is CCCCc1ccc(N2CCC(N)C(C)C2C)cc1.
What is the InChIKey of 1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine?
The InChIKey is ZRLBRCOHKJNYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-5-6-15-7-9-16(10-8-15)19-12-11-17(18)13(2)14(19)3/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine?
1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79398279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).