3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine

C16H26N2 — CID 54975533

IUPAC3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccc(C)cc2)CC1C
InChIInChI=1S/C16H26N2/c1-4-10-17-16-9-11-18(12-14(16)3)15-7-5-13(2)6-8-15/h5-8,14,16-17H,4,9-12H2,1-3H3
InChIKeyPNDZORNLHYTWSR-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds4

About 3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine

3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine (PubChem CID 54975533) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
PubChem CID54975533
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccc(C)cc2)CC1C
InChIInChI=1S/C16H26N2/c1-4-10-17-16-9-11-18(12-14(16)3)15-7-5-13(2)6-8-15/h5-8,14,16-17H,4,9-12H2,1-3H3
InChIKeyPNDZORNLHYTWSR-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
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 3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine (CID 54975533) is 3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2ccc(C)cc2)CC1C.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine?
The InChIKey is PNDZORNLHYTWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-10-17-16-9-11-18(12-14(16)3)15-7-5-13(2)6-8-15/h5-8,14,16-17H,4,9-12H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine?
3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 54975533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).