1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine

C16H26N2 — CID 114065989

IUPAC1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H26N2/c1-4-16(17)14-5-7-15(8-6-14)18-10-12(2)9-13(3)11-18/h5-8,12-13,16H,4,9-11,17H2,1-3H3
InChIKeyOBFDXYFUMITBQU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.58
Rot. Bonds3

About 1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine

1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine (PubChem CID 114065989) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
PubChem CID114065989
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H26N2/c1-4-16(17)14-5-7-15(8-6-14)18-10-12(2)9-13(3)11-18/h5-8,12-13,16H,4,9-11,17H2,1-3H3
InChIKeyOBFDXYFUMITBQU-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.58
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-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine (CID 114065989) is 1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine is CCC(N)c1ccc(N2CC(C)CC(C)C2)cc1.
What is the InChIKey of 1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
The InChIKey is OBFDXYFUMITBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-16(17)14-5-7-15(8-6-14)18-10-12(2)9-13(3)11-18/h5-8,12-13,16H,4,9-11,17H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 114065989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).