4-methyl-1-(4-phenylbutyl)piperidine

C16H25N — CID 118534913

IUPAC4-methyl-1-(4-phenylbutyl)piperidine
SMILESCC1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C16H25N/c1-15-10-13-17(14-11-15)12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyCUARFKNSIYJHNH-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.74
Rot. Bonds5

About 4-methyl-1-(4-phenylbutyl)piperidine

4-methyl-1-(4-phenylbutyl)piperidine (PubChem CID 118534913) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-methyl-1-(4-phenylbutyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(4-phenylbutyl)piperidine
PubChem CID118534913
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-methyl-1-(4-phenylbutyl)piperidine
SMILESCC1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C16H25N/c1-15-10-13-17(14-11-15)12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyCUARFKNSIYJHNH-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine
CID 44592885
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
2-methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-phenylethyl)guanidine
CID 111135431
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
CID 110905075
(3S,4R)-4-hydroxy-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 135107489
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-phenylbutyl)piperidine?
The IUPAC name of 4-methyl-1-(4-phenylbutyl)piperidine (CID 118534913) is 4-methyl-1-(4-phenylbutyl)piperidine.
What is the SMILES notation for 4-methyl-1-(4-phenylbutyl)piperidine?
The canonical SMILES for 4-methyl-1-(4-phenylbutyl)piperidine is CC1CCN(CCCCc2ccccc2)CC1.
What is the InChIKey of 4-methyl-1-(4-phenylbutyl)piperidine?
The InChIKey is CUARFKNSIYJHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-15-10-13-17(14-11-15)12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3.
What are the key properties of 4-methyl-1-(4-phenylbutyl)piperidine?
4-methyl-1-(4-phenylbutyl)piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-phenylbutyl)piperidine is sourced from PubChem (CID 118534913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).