1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid

C17H23Cl2NO2 — CID 3949304

IUPAC1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid
SMILESCCCCC(c1cccc(Cl)c1Cl)N1CCCCC1C(=O)O
InChIInChI=1S/C17H23Cl2NO2/c1-2-3-9-14(12-7-6-8-13(18)16(12)19)20-11-5-4-10-15(20)17(21)22/h6-8,14-15H,2-5,9-11H2,1H3,(H,21,22)
InChIKeyXLICFBXMXHYFRP-UHFFFAOYSA-N
MW344.28 g/mol
LogP5.16
Rot. Bonds6

About 1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid

1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid (PubChem CID 3949304) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid
PubChem CID3949304
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC Name1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid
SMILESCCCCC(c1cccc(Cl)c1Cl)N1CCCCC1C(=O)O
InChIInChI=1S/C17H23Cl2NO2/c1-2-3-9-14(12-7-6-8-13(18)16(12)19)20-11-5-4-10-15(20)17(21)22/h6-8,14-15H,2-5,9-11H2,1H3,(H,21,22)
InChIKeyXLICFBXMXHYFRP-UHFFFAOYSA-N
XLogP5.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 5027526
1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid
CID 4637920
1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid
CID 3971131
1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid
CID 3680989
1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 4650051
1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 5130504
1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3970545
1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid
CID 4588574
1-[(2,3-dichlorophenyl)-(4-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 4694200
1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3595945
1-[1-(2-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 115997267
1-[(2,3-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3939633

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid (CID 3949304) is 1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid is CCCCC(c1cccc(Cl)c1Cl)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid?
The InChIKey is XLICFBXMXHYFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c1-2-3-9-14(12-7-6-8-13(18)16(12)19)20-11-5-4-10-15(20)17(21)22/h6-8,14-15H,2-5,9-11H2,1H3,(H,21,22).
What are the key properties of 1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid?
1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid has a molecular weight of 344.28 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3949304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).