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

C17H24BrNO2 — CID 3359274

IUPAC1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid
SMILESCCCCC(c1cccc(Br)c1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H24BrNO2/c1-2-3-9-16(13-6-4-8-15(18)11-13)19-10-5-7-14(12-19)17(20)21/h4,6,8,11,14,16H,2-3,5,7,9-10,12H2,1H3,(H,20,21)
InChIKeyHBCBQWJAJZVZAX-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.48
Rot. Bonds6

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

1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid (PubChem CID 3359274) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid
PubChem CID3359274
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid
SMILESCCCCC(c1cccc(Br)c1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H24BrNO2/c1-2-3-9-16(13-6-4-8-15(18)11-13)19-10-5-7-14(12-19)17(20)21/h4,6,8,11,14,16H,2-3,5,7,9-10,12H2,1H3,(H,20,21)
InChIKeyHBCBQWJAJZVZAX-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-4-carboxylic acid
CID 3908536
1-[(3-bromophenyl)-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3439691
1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194669
1-[(3-bromophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4533309
1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 3366265
1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid
CID 3979028
1-[(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4672401
1-[(3-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4676977
1-[(3-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4575395
4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one
CID 82135319
1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid
CID 4677151
1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194675

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid (CID 3359274) is 1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid is CCCCC(c1cccc(Br)c1)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid?
The InChIKey is HBCBQWJAJZVZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-2-3-9-16(13-6-4-8-15(18)11-13)19-10-5-7-14(12-19)17(20)21/h4,6,8,11,14,16H,2-3,5,7,9-10,12H2,1H3,(H,20,21).
What are the key properties of 1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid?
1-[1-(3-bromophenyl)pentyl]piperidine-3-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-3-carboxylic acid is sourced from PubChem (CID 3359274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).