2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine

C17H28N2 — CID 79397861

IUPAC2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccc(C)cc2)C(C)C1C
InChIInChI=1S/C17H28N2/c1-5-11-18-17-10-12-19(15(4)14(17)3)16-8-6-13(2)7-9-16/h6-9,14-15,17-18H,5,10-12H2,1-4H3
InChIKeyMTCVPCQJMUNBMD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds4

About 2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine

2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine (PubChem CID 79397861) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
PubChem CID79397861
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccc(C)cc2)C(C)C1C
InChIInChI=1S/C17H28N2/c1-5-11-18-17-10-12-19(15(4)14(17)3)16-8-6-13(2)7-9-16/h6-9,14-15,17-18H,5,10-12H2,1-4H3
InChIKeyMTCVPCQJMUNBMD-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 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 ≤ 53.60
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 2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine (CID 79397861) is 2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2ccc(C)cc2)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine?
The InChIKey is MTCVPCQJMUNBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-11-18-17-10-12-19(15(4)14(17)3)16-8-6-13(2)7-9-16/h6-9,14-15,17-18H,5,10-12H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine?
2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 79397861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).