piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate

C19H19Cl2FN2O2 — CID 138710679

IUPACpiperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)OCC1CCNCC1
InChIInChI=1S/C19H19Cl2FN2O2/c20-16-3-1-13(9-17(16)21)15-10-14(22)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
InChIKeyQCYOIEZHUQHFEJ-UHFFFAOYSA-N
MW397.28 g/mol
LogP5.35
Rot. Bonds4

About piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate

piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate (PubChem CID 138710679) has the molecular formula C19H19Cl2FN2O2 and a molecular weight of 397.28 g/mol. Its IUPAC name is piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate
PubChem CID138710679
Molecular FormulaC19H19Cl2FN2O2
Molecular Weight397.28 g/mol
Exact Mass396.08
IUPAC Namepiperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)OCC1CCNCC1
InChIInChI=1S/C19H19Cl2FN2O2/c20-16-3-1-13(9-17(16)21)15-10-14(22)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
InChIKeyQCYOIEZHUQHFEJ-UHFFFAOYSA-N
XLogP5.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.28
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Velufenacin
CID 121425461
piperidin-4-ylmethyl N-[4-fluoro-2-(4-fluorophenyl)phenyl]carbamate
CID 138711318
piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate
CID 138711325
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate
CID 138711343
Gastrofenzin
CID 146094
M3R antagonist OFH243
CID 156011965
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-(3-chloro-4-fluorophenyl)-4-fluorophenyl]carbamate
CID 156015097
piperidin-4-ylmethyl N-[2-(3,4,5-trifluorophenyl)phenyl]carbamate
CID 156015287
M3R antagonist OFH244
CID 156015300
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-(3-chlorophenyl)-4-fluorophenyl]carbamate
CID 156021744
piperidin-4-ylmethyl N-[2-(4-chlorophenyl)-4-fluorophenyl]carbamate
CID 138710710
piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate
CID 138710717

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate?
The IUPAC name of piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate (CID 138710679) is piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate.
What is the SMILES notation for piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate?
The canonical SMILES for piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate is O=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)OCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate?
The InChIKey is QCYOIEZHUQHFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O2/c20-16-3-1-13(9-17(16)21)15-10-14(22)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25).
What are the key properties of piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate?
piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate has a molecular weight of 397.28 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate is sourced from PubChem (CID 138710679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).