1-butyl-2-phenylpiperidine

C15H23N — CID 10036306

IUPAC1-butyl-2-phenylpiperidine
SMILESCCCCN1CCCCC1c1ccccc1
InChIInChI=1S/C15H23N/c1-2-3-12-16-13-8-7-11-15(16)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKeyZTPNUFACOXVNCN-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.01
Rot. Bonds4

About 1-butyl-2-phenylpiperidine

1-butyl-2-phenylpiperidine (PubChem CID 10036306) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-butyl-2-phenylpiperidine.

Molecular Properties

Compound Name1-butyl-2-phenylpiperidine
PubChem CID10036306
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-butyl-2-phenylpiperidine
SMILESCCCCN1CCCCC1c1ccccc1
InChIInChI=1S/C15H23N/c1-2-3-12-16-13-8-7-11-15(16)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKeyZTPNUFACOXVNCN-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-phenylazepane
CID 59678181
2-(2-phenylpiperidin-1-yl)ethanamine
CID 69157822
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
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(2S)-1-butyl-2-(furan-2-yl)piperidine
CID 124500858
benzoic acid;3-(2-phenylpiperidin-1-yl)propan-1-ol;hydrochloride
CID 21153815
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
3-(1-butylpyrrolidin-2-yl)quinoline
CID 102543349
3-[(2R)-1-butylpyrrolidin-2-yl]quinoline
CID 124500186
2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
(2R,6S)-1-pentyl-2,6-diphenylpiperidine
CID 132552857
3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine
CID 102540559

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-phenylpiperidine?
The IUPAC name of 1-butyl-2-phenylpiperidine (CID 10036306) is 1-butyl-2-phenylpiperidine.
What is the SMILES notation for 1-butyl-2-phenylpiperidine?
The canonical SMILES for 1-butyl-2-phenylpiperidine is CCCCN1CCCCC1c1ccccc1.
What is the InChIKey of 1-butyl-2-phenylpiperidine?
The InChIKey is ZTPNUFACOXVNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-3-12-16-13-8-7-11-15(16)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3.
What are the key properties of 1-butyl-2-phenylpiperidine?
1-butyl-2-phenylpiperidine has a molecular weight of 217.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-phenylpiperidine is sourced from PubChem (CID 10036306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).