piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate

C19H21FN2O2 — CID 138711325

IUPACpiperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1-c1ccccc1)OCC1CCNCC1
InChIInChI=1S/C19H21FN2O2/c20-16-6-7-18(17(12-16)15-4-2-1-3-5-15)22-19(23)24-13-14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2,(H,22,23)
InChIKeyLWKFTNSSJJTMGU-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.04
Rot. Bonds4

About piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate

piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate (PubChem CID 138711325) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate
PubChem CID138711325
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namepiperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1-c1ccccc1)OCC1CCNCC1
InChIInChI=1S/C19H21FN2O2/c20-16-6-7-18(17(12-16)15-4-2-1-3-5-15)22-19(23)24-13-14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2,(H,22,23)
InChIKeyLWKFTNSSJJTMGU-UHFFFAOYSA-N
XLogP4.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.04
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-(4-fluoro-2-phenylphenyl)carbamate?
The IUPAC name of piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate (CID 138711325) is piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate.
What is the SMILES notation for piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate?
The canonical SMILES for piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate is O=C(Nc1ccc(F)cc1-c1ccccc1)OCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate?
The InChIKey is LWKFTNSSJJTMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-6-7-18(17(12-16)15-4-2-1-3-5-15)22-19(23)24-13-14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2,(H,22,23).
What are the key properties of piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate?
piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate has a molecular weight of 328.39 g/mol, XLogP of 4.04, 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-(4-fluoro-2-phenylphenyl)carbamate is sourced from PubChem (CID 138711325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).