tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate

C17H24ClFN2O2 — CID 68886889

IUPACtert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C17H24ClFN2O2/c1-17(2,3)23-16(22)20-13-6-8-21(9-7-13)11-12-4-5-14(18)15(19)10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H,20,22)
InChIKeyGSZJNWOXCNEONL-UHFFFAOYSA-N
MW342.84 g/mol
LogP3.97
Rot. Bonds3

About tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate (PubChem CID 68886889) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate
PubChem CID68886889
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Nametert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C17H24ClFN2O2/c1-17(2,3)23-16(22)20-13-6-8-21(9-7-13)11-12-4-5-14(18)15(19)10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H,20,22)
InChIKeyGSZJNWOXCNEONL-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate 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

CID 11450265
CID 11450265
CID 11450266
CID 11450266
CID 44536498
CID 44536498
CID 4438618
CID 4438618
CID 5022023
CID 5022023
CID 132306278
CID 132306278
CID 56686932
CID 56686932
CID 57750386
CID 57750386
CID 70701067
CID 70701067
CID 70701068
CID 70701068
CID 71298764
CID 71298764
CID 72206928
CID 72206928

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate (CID 68886889) is tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(Cc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate?
The InChIKey is GSZJNWOXCNEONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O2/c1-17(2,3)23-16(22)20-13-6-8-21(9-7-13)11-12-4-5-14(18)15(19)10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate has a molecular weight of 342.84 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 68886889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).