1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid

C17H24BrNO2 — CID 3908536

IUPAC1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid
SMILESCCCCC(c1cccc(Br)c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24BrNO2/c1-2-3-7-16(14-5-4-6-15(18)12-14)19-10-8-13(9-11-19)17(20)21/h4-6,12-13,16H,2-3,7-11H2,1H3,(H,20,21)
InChIKeyWMQXBXPTZKHXQW-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.48
Rot. Bonds6

About 1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid

1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid (PubChem CID 3908536) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid
PubChem CID3908536
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid
SMILESCCCCC(c1cccc(Br)c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24BrNO2/c1-2-3-7-16(14-5-4-6-15(18)12-14)19-10-8-13(9-11-19)17(20)21/h4-6,12-13,16H,2-3,7-11H2,1H3,(H,20,21)
InChIKeyWMQXBXPTZKHXQW-UHFFFAOYSA-N
XLogP4.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid
CID 3359274
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid
CID 3363485
1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid
CID 5013818
1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5170728
1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 3387297
4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one
CID 82135319
1-[(5-bromo-2-ethoxyphenyl)-phenylmethyl]piperidine-4-carboxylic acid
CID 4692670
1-[(3-bromophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3927621
1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid
CID 4664073
1-[(3-bromophenyl)-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3439691
1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624625

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid (CID 3908536) is 1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid is CCCCC(c1cccc(Br)c1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid?
The InChIKey is WMQXBXPTZKHXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-2-3-7-16(14-5-4-6-15(18)12-14)19-10-8-13(9-11-19)17(20)21/h4-6,12-13,16H,2-3,7-11H2,1H3,(H,20,21).
What are the key properties of 1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid?
1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid has a molecular weight of 354.29 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3908536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).