1-(1-phenylethyl)-3-propan-2-ylpiperidine

C16H25N — CID 134236210

IUPAC1-(1-phenylethyl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(C(C)c2ccccc2)C1
InChIInChI=1S/C16H25N/c1-13(2)16-10-7-11-17(12-16)14(3)15-8-5-4-6-9-15/h4-6,8-9,13-14,16H,7,10-12H2,1-3H3
InChIKeyAVXQZMPBZPZITF-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.12
Rot. Bonds3

About 1-(1-phenylethyl)-3-propan-2-ylpiperidine

1-(1-phenylethyl)-3-propan-2-ylpiperidine (PubChem CID 134236210) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(1-phenylethyl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(1-phenylethyl)-3-propan-2-ylpiperidine
PubChem CID134236210
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(1-phenylethyl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(C(C)c2ccccc2)C1
InChIInChI=1S/C16H25N/c1-13(2)16-10-7-11-17(12-16)14(3)15-8-5-4-6-9-15/h4-6,8-9,13-14,16H,7,10-12H2,1-3H3
InChIKeyAVXQZMPBZPZITF-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
(3R)-3-chloro-1-[(1R)-1-phenylethyl]piperidine
CID 102227667
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
3-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 64944864
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925793
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925499
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid
CID 81046611
3-[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81048429

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-3-propan-2-ylpiperidine?
The IUPAC name of 1-(1-phenylethyl)-3-propan-2-ylpiperidine (CID 134236210) is 1-(1-phenylethyl)-3-propan-2-ylpiperidine.
What is the SMILES notation for 1-(1-phenylethyl)-3-propan-2-ylpiperidine?
The canonical SMILES for 1-(1-phenylethyl)-3-propan-2-ylpiperidine is CC(C)C1CCCN(C(C)c2ccccc2)C1.
What is the InChIKey of 1-(1-phenylethyl)-3-propan-2-ylpiperidine?
The InChIKey is AVXQZMPBZPZITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)16-10-7-11-17(12-16)14(3)15-8-5-4-6-9-15/h4-6,8-9,13-14,16H,7,10-12H2,1-3H3.
What are the key properties of 1-(1-phenylethyl)-3-propan-2-ylpiperidine?
1-(1-phenylethyl)-3-propan-2-ylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-3-propan-2-ylpiperidine is sourced from PubChem (CID 134236210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).