N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide

C13H17FN2O2 — CID 18173931

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C13H17FN2O2/c14-11-3-1-10(2-4-11)9-15-13(18)16-7-5-12(17)6-8-16/h1-4,12,17H,5-9H2,(H,15,18)
InChIKeyWVIATHAGYWSAIU-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.49
Rot. Bonds2

About N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 18173931) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID18173931
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C13H17FN2O2/c14-11-3-1-10(2-4-11)9-15-13(18)16-7-5-12(17)6-8-16/h1-4,12,17H,5-9H2,(H,15,18)
InChIKeyWVIATHAGYWSAIU-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide (CID 18173931) is N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(O)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is WVIATHAGYWSAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-3-1-10(2-4-11)9-15-13(18)16-7-5-12(17)6-8-16/h1-4,12,17H,5-9H2,(H,15,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 18173931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).