2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride

C14H18Cl3NO2 — CID 154749832

IUPAC2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCC(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H17Cl2NO2.ClH/c15-12-1-2-13(16)11(8-12)7-10-3-5-17(6-4-10)9-14(18)19;/h1-2,8,10H,3-7,9H2,(H,18,19);1H
InChIKeyALXKLGHMDBWKIF-UHFFFAOYSA-N
MW338.66 g/mol
LogP3.75
Rot. Bonds4

About 2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride

2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride (PubChem CID 154749832) has the molecular formula C14H18Cl3NO2 and a molecular weight of 338.66 g/mol. Its IUPAC name is 2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride
PubChem CID154749832
Molecular FormulaC14H18Cl3NO2
Molecular Weight338.66 g/mol
Exact Mass337.04
IUPAC Name2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCC(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H17Cl2NO2.ClH/c15-12-1-2-13(16)11(8-12)7-10-3-5-17(6-4-10)9-14(18)19;/h1-2,8,10H,3-7,9H2,(H,18,19);1H
InChIKeyALXKLGHMDBWKIF-UHFFFAOYSA-N
XLogP3.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.66
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine
CID 141012571
2-[(4S)-1-[(2,5-dichlorophenyl)methyl]azepan-4-yl]acetic acid
CID 129489700
4-[(2,5-dichlorophenyl)methyl]cyclohexan-1-one
CID 83261963
2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid
CID 43521392
3-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-yl]propanoic acid
CID 114866899
3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
CID 23029870
N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922555
2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
CID 69347571
3-cyclohexyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazolidin-2-one
CID 23029995
3-cyclohexyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
CID 23028986
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
CID 119135422
2-[4-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetic acid
CID 142785198

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride (CID 154749832) is 2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride is Cl.O=C(O)CN1CCC(Cc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride?
The InChIKey is ALXKLGHMDBWKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2.ClH/c15-12-1-2-13(16)11(8-12)7-10-3-5-17(6-4-10)9-14(18)19;/h1-2,8,10H,3-7,9H2,(H,18,19);1H.
What are the key properties of 2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride?
2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride has a molecular weight of 338.66 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 154749832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).