piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate

C19H20ClFN2O2 — CID 138710717

IUPACpiperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(F)cc1-c1ccccc1Cl)OCC1CCNCC1
InChIInChI=1S/C19H20ClFN2O2/c20-17-4-2-1-3-15(17)16-11-14(21)5-6-18(16)23-19(24)25-12-13-7-9-22-10-8-13/h1-6,11,13,22H,7-10,12H2,(H,23,24)
InChIKeySWCMGAVLLBRPAS-UHFFFAOYSA-N
MW362.83 g/mol
LogP4.69
Rot. Bonds4

About piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate

piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate (PubChem CID 138710717) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate
PubChem CID138710717
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Namepiperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(F)cc1-c1ccccc1Cl)OCC1CCNCC1
InChIInChI=1S/C19H20ClFN2O2/c20-17-4-2-1-3-15(17)16-11-14(21)5-6-18(16)23-19(24)25-12-13-7-9-22-10-8-13/h1-6,11,13,22H,7-10,12H2,(H,23,24)
InChIKeySWCMGAVLLBRPAS-UHFFFAOYSA-N
XLogP4.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate?
The IUPAC name of piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate (CID 138710717) is piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate.
What is the SMILES notation for piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate?
The canonical SMILES for piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate is O=C(Nc1ccc(F)cc1-c1ccccc1Cl)OCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate?
The InChIKey is SWCMGAVLLBRPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c20-17-4-2-1-3-15(17)16-11-14(21)5-6-18(16)23-19(24)25-12-13-7-9-22-10-8-13/h1-6,11,13,22H,7-10,12H2,(H,23,24).
What are the key properties of piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate?
piperidin-4-ylmethyl N-[2-(2-chlorophenyl)-4-fluorophenyl]carbamate has a molecular weight of 362.83 g/mol, XLogP of 4.69, 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-(2-chlorophenyl)-4-fluorophenyl]carbamate is sourced from PubChem (CID 138710717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).