1-(1-phenylbutyl)piperidine-4-carboxylic acid

C16H23NO2 — CID 65056613

IUPAC1-(1-phenylbutyl)piperidine-4-carboxylic acid
SMILESCCCC(c1ccccc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23NO2/c1-2-6-15(13-7-4-3-5-8-13)17-11-9-14(10-12-17)16(18)19/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyLBHSXDFVMUBKCW-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.32
Rot. Bonds5

About 1-(1-phenylbutyl)piperidine-4-carboxylic acid

1-(1-phenylbutyl)piperidine-4-carboxylic acid (PubChem CID 65056613) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(1-phenylbutyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenylbutyl)piperidine-4-carboxylic acid
PubChem CID65056613
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(1-phenylbutyl)piperidine-4-carboxylic acid
SMILESCCCC(c1ccccc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23NO2/c1-2-6-15(13-7-4-3-5-8-13)17-11-9-14(10-12-17)16(18)19/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyLBHSXDFVMUBKCW-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid
CID 3908536
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid
CID 5013818
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353
N-phenyl-1-(1-phenylbutyl)piperidin-4-amine
CID 70111366
4-(1-phenylbutyl)morpholine-2-carboxylic acid
CID 65067118
1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 4681970
methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate
CID 63382677
3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62780033
1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid
CID 4664073
1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid
CID 3363485
3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494242

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylbutyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-phenylbutyl)piperidine-4-carboxylic acid (CID 65056613) is 1-(1-phenylbutyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-phenylbutyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-phenylbutyl)piperidine-4-carboxylic acid is CCCC(c1ccccc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(1-phenylbutyl)piperidine-4-carboxylic acid?
The InChIKey is LBHSXDFVMUBKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-6-15(13-7-4-3-5-8-13)17-11-9-14(10-12-17)16(18)19/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,19).
What are the key properties of 1-(1-phenylbutyl)piperidine-4-carboxylic acid?
1-(1-phenylbutyl)piperidine-4-carboxylic acid has a molecular weight of 261.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylbutyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65056613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).