1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine

C16H26N2 — CID 79397573

IUPAC1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(C)c(C)c2)C(C)C1C
InChIInChI=1S/C16H26N2/c1-11-6-7-15(10-12(11)2)18-9-8-16(17-5)13(3)14(18)4/h6-7,10,13-14,16-17H,8-9H2,1-5H3
InChIKeyHXFUOVBMASIIET-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.13
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine

1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine (PubChem CID 79397573) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine
PubChem CID79397573
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(C)c(C)c2)C(C)C1C
InChIInChI=1S/C16H26N2/c1-11-6-7-15(10-12(11)2)18-9-8-16(17-5)13(3)14(18)4/h6-7,10,13-14,16-17H,8-9H2,1-5H3
InChIKeyHXFUOVBMASIIET-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.13
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-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine (CID 79397573) is 1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine is CNC1CCN(c2ccc(C)c(C)c2)C(C)C1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is HXFUOVBMASIIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-6-7-15(10-12(11)2)18-9-8-16(17-5)13(3)14(18)4/h6-7,10,13-14,16-17H,8-9H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine?
1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 79397573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).