ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate

C21H25FN2O2 — CID 57482820

IUPACethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(c2cccc(F)c2)C2CCNCC2)cc1
InChIInChI=1S/C21H25FN2O2/c1-2-26-21(25)24-19-8-6-15(7-9-19)20(16-10-12-23-13-11-16)17-4-3-5-18(22)14-17/h3-9,14,16,20,23H,2,10-13H2,1H3,(H,24,25)
InChIKeyIYCIHINAUWZQOM-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.53
Rot. Bonds5

About ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate

ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate (PubChem CID 57482820) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate
PubChem CID57482820
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Nameethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(c2cccc(F)c2)C2CCNCC2)cc1
InChIInChI=1S/C21H25FN2O2/c1-2-26-21(25)24-19-8-6-15(7-9-19)20(16-10-12-23-13-11-16)17-4-3-5-18(22)14-17/h3-9,14,16,20,23H,2,10-13H2,1H3,(H,24,25)
InChIKeyIYCIHINAUWZQOM-UHFFFAOYSA-N
XLogP4.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate (CID 57482820) is ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(c2cccc(F)c2)C2CCNCC2)cc1.
What is the InChIKey of ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate?
The InChIKey is IYCIHINAUWZQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-2-26-21(25)24-19-8-6-15(7-9-19)20(16-10-12-23-13-11-16)17-4-3-5-18(22)14-17/h3-9,14,16,20,23H,2,10-13H2,1H3,(H,24,25).
What are the key properties of ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate?
ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate has a molecular weight of 356.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]carbamate is sourced from PubChem (CID 57482820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).