[1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid

C20H22ClFN2O2 — CID 68705545

IUPAC[1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(Cc2ccc(-c3ccc(F)cc3)cc2Cl)CC1
InChIInChI=1S/C20H22ClFN2O2/c1-23(20(25)26)18-8-10-24(11-9-18)13-16-3-2-15(12-19(16)21)14-4-6-17(22)7-5-14/h2-7,12,18H,8-11,13H2,1H3,(H,25,26)
InChIKeyDRRPKUBTVRZSCA-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.72
Rot. Bonds4

About [1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid

[1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid (PubChem CID 68705545) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is [1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
PubChem CID68705545
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name[1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(Cc2ccc(-c3ccc(F)cc3)cc2Cl)CC1
InChIInChI=1S/C20H22ClFN2O2/c1-23(20(25)26)18-8-10-24(11-9-18)13-16-3-2-15(12-19(16)21)14-4-6-17(22)7-5-14/h2-7,12,18H,8-11,13H2,1H3,(H,25,26)
InChIKeyDRRPKUBTVRZSCA-UHFFFAOYSA-N
XLogP4.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic 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

methyl N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]carbamate
CID 134802847
1-[4-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 134796599
Methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate
CID 134799821
4-[(4-Chlorophenyl)-phenylmethyl]piperazine-1-carboxylic acid
CID 57513881
4-[(2,5-Dichlorophenyl)methylcarbamoyl]-3-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid
CID 17952981
methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
CID 57499810
methyl N-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
CID 57499811
[2-Chloro-4-(4-fluorophenyl)phenyl]methylcarbamic acid
CID 67529162
[1-[1-[[2-Chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-(methylamino)-3-oxopropyl]carbamic acid
CID 68461184
[1-[[2-Chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]methyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 68461186
methyl 4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)-2-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68576767
[1-[[2-Fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
CID 68704453

Frequently Asked Questions

What is the IUPAC name of [1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid (CID 68705545) is [1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid is CN(C(=O)O)C1CCN(Cc2ccc(-c3ccc(F)cc3)cc2Cl)CC1.
What is the InChIKey of [1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
The InChIKey is DRRPKUBTVRZSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-23(20(25)26)18-8-10-24(11-9-18)13-16-3-2-15(12-19(16)21)14-4-6-17(22)7-5-14/h2-7,12,18H,8-11,13H2,1H3,(H,25,26).
What are the key properties of [1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
[1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid has a molecular weight of 376.86 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 68705545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).