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

C16H26N2 — CID 55157460

IUPAC2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
SMILESCC1(C)CCN(C(CN)Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-16(2)8-10-18(11-9-16)15(13-17)12-14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3
InChIKeyMYPHAQTYSVGYOL-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.68
Rot. Bonds4

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

2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine (PubChem CID 55157460) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
PubChem CID55157460
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
SMILESCC1(C)CCN(C(CN)Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-16(2)8-10-18(11-9-16)15(13-17)12-14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3
InChIKeyMYPHAQTYSVGYOL-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 121304863
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine
CID 62885238
2-(3-ethylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 113417146
2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 62937911
4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 79008198
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine
CID 106586332
2-(4,4-dimethylpiperidin-1-yl)hexan-1-amine
CID 62937913
2-(4-ethyl-4-methylpiperidin-1-yl)-4-phenylpentan-1-amine
CID 63157326
1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 121304833
3-[3-amino-2-(azetidin-1-yl)propyl]phenol
CID 84722321
2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 55150857
3-pyridin-3-yl-2-pyrrolidin-1-ylpropan-1-amine
CID 82077199

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine (CID 55157460) is 2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine is CC1(C)CCN(C(CN)Cc2ccccc2)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine?
The InChIKey is MYPHAQTYSVGYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2)8-10-18(11-9-16)15(13-17)12-14-6-4-3-5-7-14/h3-7,15H,8-13,17H2,1-2H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine?
2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.68, 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)-3-phenylpropan-1-amine is sourced from PubChem (CID 55157460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).