2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine

C17H28N2 — CID 55150857

IUPAC2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
SMILESCC1(C)CCN(C(C)(CN)Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-16(2)9-11-19(12-10-16)17(3,14-18)13-15-7-5-4-6-8-15/h4-8H,9-14,18H2,1-3H3
InChIKeyZPMJEQXDKLMIHL-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds4

About 2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine

2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine (PubChem CID 55150857) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
PubChem CID55150857
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
SMILESCC1(C)CCN(C(C)(CN)Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-16(2)9-11-19(12-10-16)17(3,14-18)13-15-7-5-4-6-8-15/h4-8H,9-14,18H2,1-3H3
InChIKeyZPMJEQXDKLMIHL-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine (CID 55150857) is 2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine is CC1(C)CCN(C(C)(CN)Cc2ccccc2)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine?
The InChIKey is ZPMJEQXDKLMIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2)9-11-19(12-10-16)17(3,14-18)13-15-7-5-4-6-8-15/h4-8H,9-14,18H2,1-3H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine?
2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 55150857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).