1-(3-phenylbutyl)piperidine

C15H23N — CID 11218224

IUPAC1-(3-phenylbutyl)piperidine
SMILESCC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C15H23N/c1-14(15-8-4-2-5-9-15)10-13-16-11-6-3-7-12-16/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyQHTPVLXBWRCWQI-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.67
Rot. Bonds4

About 1-(3-phenylbutyl)piperidine

1-(3-phenylbutyl)piperidine (PubChem CID 11218224) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(3-phenylbutyl)piperidine.

Molecular Properties

Compound Name1-(3-phenylbutyl)piperidine
PubChem CID11218224
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(3-phenylbutyl)piperidine
SMILESCC(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C15H23N/c1-14(15-8-4-2-5-9-15)10-13-16-11-6-3-7-12-16/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyQHTPVLXBWRCWQI-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylbutyl)piperidine?
The IUPAC name of 1-(3-phenylbutyl)piperidine (CID 11218224) is 1-(3-phenylbutyl)piperidine.
What is the SMILES notation for 1-(3-phenylbutyl)piperidine?
The canonical SMILES for 1-(3-phenylbutyl)piperidine is CC(CCN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-(3-phenylbutyl)piperidine?
The InChIKey is QHTPVLXBWRCWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-14(15-8-4-2-5-9-15)10-13-16-11-6-3-7-12-16/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3.
What are the key properties of 1-(3-phenylbutyl)piperidine?
1-(3-phenylbutyl)piperidine has a molecular weight of 217.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylbutyl)piperidine is sourced from PubChem (CID 11218224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).