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

C22H27FN2O2 — CID 57482821

IUPACethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(C(c2cccc(F)c2)C2CCNCC2)cc1
InChIInChI=1S/C22H27FN2O2/c1-2-27-22(26)25-15-16-6-8-17(9-7-16)21(18-10-12-24-13-11-18)19-4-3-5-20(23)14-19/h3-9,14,18,21,24H,2,10-13,15H2,1H3,(H,25,26)
InChIKeyCWWOPGSSUPPMPY-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.20
Rot. Bonds6

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

ethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate (PubChem CID 57482821) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is ethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate
PubChem CID57482821
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Nameethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(C(c2cccc(F)c2)C2CCNCC2)cc1
InChIInChI=1S/C22H27FN2O2/c1-2-27-22(26)25-15-16-6-8-17(9-7-16)21(18-10-12-24-13-11-18)19-4-3-5-20(23)14-19/h3-9,14,18,21,24H,2,10-13,15H2,1H3,(H,25,26)
InChIKeyCWWOPGSSUPPMPY-UHFFFAOYSA-N
XLogP4.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.20
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]methyl]carbamate?
The IUPAC name of ethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate (CID 57482821) is ethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate is CCOC(=O)NCc1ccc(C(c2cccc(F)c2)C2CCNCC2)cc1.
What is the InChIKey of ethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate?
The InChIKey is CWWOPGSSUPPMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-2-27-22(26)25-15-16-6-8-17(9-7-16)21(18-10-12-24-13-11-18)19-4-3-5-20(23)14-19/h3-9,14,18,21,24H,2,10-13,15H2,1H3,(H,25,26).
What are the key properties of ethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate?
ethyl N-[[4-[(3-fluorophenyl)-piperidin-4-ylmethyl]phenyl]methyl]carbamate has a molecular weight of 370.47 g/mol, XLogP of 4.20, 6 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]methyl]carbamate is sourced from PubChem (CID 57482821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).