2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride

C13H16Cl2FNO2 — CID 75480633

IUPAC2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1c(F)cccc1Cl)N1CCCCC1
InChIInChI=1S/C13H15ClFNO2.ClH/c14-9-5-4-6-10(15)11(9)12(13(17)18)16-7-2-1-3-8-16;/h4-6,12H,1-3,7-8H2,(H,17,18);1H
InChIKeyBKKCJEHDLXSYIT-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.51
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride

2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride (PubChem CID 75480633) has the molecular formula C13H16Cl2FNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride
PubChem CID75480633
Molecular FormulaC13H16Cl2FNO2
Molecular Weight308.18 g/mol
Exact Mass307.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1c(F)cccc1Cl)N1CCCCC1
InChIInChI=1S/C13H15ClFNO2.ClH/c14-9-5-4-6-10(15)11(9)12(13(17)18)16-7-2-1-3-8-16;/h4-6,12H,1-3,7-8H2,(H,17,18);1H
InChIKeyBKKCJEHDLXSYIT-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
2-(2-Methylpiperidin-1-yl)-2-phenylacetic acid hydrochloride
CID 16189438
Clopidogrel endo thiol metabolite
CID 165361851
(1-(4-Chlorobenzyl)-2-oxohydrazino)(phenyl)acetic acid
CID 341212
2-Phenyl-2-(piperidin-1-yl)acetic acid
CID 408627
2-(4-Methylpiperidin-1-yl)-2-phenylacetic acid
CID 3157175
2-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 76324961
(2R)-2-[(4-chlorophenyl)methyl-nitrosoamino]-2-phenylacetic acid
CID 3246683
2-(4-Chlorophenyl)-2-(morpholin-4-yl)acetic acid
CID 6484114
2-(Dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 22016552

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride (CID 75480633) is 2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride is Cl.O=C(O)C(c1c(F)cccc1Cl)N1CCCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride?
The InChIKey is BKKCJEHDLXSYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2.ClH/c14-9-5-4-6-10(15)11(9)12(13(17)18)16-7-2-1-3-8-16;/h4-6,12H,1-3,7-8H2,(H,17,18);1H.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride?
2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride has a molecular weight of 308.18 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride is sourced from PubChem (CID 75480633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).