2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid

C16H23ClN2O2 — CID 68846400

IUPAC2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid
SMILESCc1cc(Cl)cc(CN2CCC(CCNC(=O)O)CC2)c1
InChIInChI=1S/C16H23ClN2O2/c1-12-8-14(10-15(17)9-12)11-19-6-3-13(4-7-19)2-5-18-16(20)21/h8-10,13,18H,2-7,11H2,1H3,(H,20,21)
InChIKeyGENICHYRAFCVHD-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.52
Rot. Bonds5

About 2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid

2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid (PubChem CID 68846400) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid
PubChem CID68846400
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid
SMILESCc1cc(Cl)cc(CN2CCC(CCNC(=O)O)CC2)c1
InChIInChI=1S/C16H23ClN2O2/c1-12-8-14(10-15(17)9-12)11-19-6-3-13(4-7-19)2-5-18-16(20)21/h8-10,13,18H,2-7,11H2,1H3,(H,20,21)
InChIKeyGENICHYRAFCVHD-UHFFFAOYSA-N
XLogP3.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid 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

2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethylcarbamic acid
CID 68847048
3-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216017
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849796
1-[(3-chloro-5-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 122046736
tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
CID 75480519
2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849804
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
CID 118540720
ethyl 3-[2-(1-benzylpiperidin-4-yl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 14553408
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea
CID 22430442
1-[[(3S)-1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethylurea
CID 95226697
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
CID 143148058

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid (CID 68846400) is 2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid is Cc1cc(Cl)cc(CN2CCC(CCNC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid?
The InChIKey is GENICHYRAFCVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12-8-14(10-15(17)9-12)11-19-6-3-13(4-7-19)2-5-18-16(20)21/h8-10,13,18H,2-7,11H2,1H3,(H,20,21).
What are the key properties of 2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid?
2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid has a molecular weight of 310.83 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 68846400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).