1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine

C16H26N2 — CID 114993345

IUPAC1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
SMILESCC(Cc1ccccc1)NCCN1CCCCC1
InChIInChI=1S/C16H26N2/c1-15(14-16-8-4-2-5-9-16)17-10-13-18-11-6-3-7-12-18/h2,4-5,8-9,15,17H,3,6-7,10-14H2,1H3
InChIKeyGHZSUNPSFFTQQA-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.69
Rot. Bonds6

About 1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine

1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine (PubChem CID 114993345) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
PubChem CID114993345
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
SMILESCC(Cc1ccccc1)NCCN1CCCCC1
InChIInChI=1S/C16H26N2/c1-15(14-16-8-4-2-5-9-16)17-10-13-18-11-6-3-7-12-18/h2,4-5,8-9,15,17H,3,6-7,10-14H2,1H3
InChIKeyGHZSUNPSFFTQQA-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 21152799
1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173711
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 757431
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 119164926
1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
CID 43508773
3-methylbutyl 3-phenyl-2-(2-piperidin-1-ylethylamino)propanoate
CID 110185924
N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride
CID 11971660
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine?
The IUPAC name of 1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine (CID 114993345) is 1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine.
What is the SMILES notation for 1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine?
The canonical SMILES for 1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine is CC(Cc1ccccc1)NCCN1CCCCC1.
What is the InChIKey of 1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine?
The InChIKey is GHZSUNPSFFTQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-15(14-16-8-4-2-5-9-16)17-10-13-18-11-6-3-7-12-18/h2,4-5,8-9,15,17H,3,6-7,10-14H2,1H3.
What are the key properties of 1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine?
1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine is sourced from PubChem (CID 114993345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).