N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C15H21FN2O2 — CID 110882655

IUPACN-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1cccc(F)c1)N1CCCC(CO)C1
InChIInChI=1S/C15H21FN2O2/c16-14-5-1-3-12(9-14)6-7-17-15(20)18-8-2-4-13(10-18)11-19/h1,3,5,9,13,19H,2,4,6-8,10-11H2,(H,17,20)
InChIKeyRYHDJULJRFTJHS-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.78
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110882655) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110882655
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1cccc(F)c1)N1CCCC(CO)C1
InChIInChI=1S/C15H21FN2O2/c16-14-5-1-3-12(9-14)6-7-17-15(20)18-8-2-4-13(10-18)11-19/h1,3,5,9,13,19H,2,4,6-8,10-11H2,(H,17,20)
InChIKeyRYHDJULJRFTJHS-UHFFFAOYSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87000385
(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
CID 154904649
3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide
CID 111117261
2-[1-[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371368
N-[2-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 25485498
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 95200233
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 56743313
cis-(1S,2R)-N-[2-(3-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95298659
(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
CID 124851079
N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894864
(E)-3-(3-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 43422389

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 110882655) is N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCCc1cccc(F)c1)N1CCCC(CO)C1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is RYHDJULJRFTJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-14-5-1-3-12(9-14)6-7-17-15(20)18-8-2-4-13(10-18)11-19/h1,3,5,9,13,19H,2,4,6-8,10-11H2,(H,17,20).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110882655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).