4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C14H17F3N2O2 — CID 51091370

IUPAC4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(CO)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-1-3-12(4-2-11)18-13(21)19-7-5-10(9-20)6-8-19/h1-4,10,20H,5-9H2,(H,18,21)
InChIKeyNFTGKERGQBGEFH-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.94
Rot. Bonds2

About 4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 51091370) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID51091370
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(CO)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-1-3-12(4-2-11)18-13(21)19-7-5-10(9-20)6-8-19/h1-4,10,20H,5-9H2,(H,18,21)
InChIKeyNFTGKERGQBGEFH-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
N-[4-(propan-2-yl)phenyl]morpholine-4-carboxamide
CID 669753
1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
1-(1-Cyclopropanecarbonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 45889074
1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49783427
1-(1-(3,3,3-Trifluoropropionyl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971637
1-(1-(2-Methylbutyryl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971639
1-[4-(Trifluoromethyl)phenyl]-3-[1-[(S)-2-methylbutyryl]-4-piperidinyl]urea
CID 71680510
US10377744, Syn34
CID 118395981
Ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 118396004
1-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 118409168
2-Methyl-1-(N-(3-trifluoromethylphenyl)carbamoyl)piperidine
CID 310447

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 51091370) is 4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is NFTGKERGQBGEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-1-3-12(4-2-11)18-13(21)19-7-5-10(9-20)6-8-19/h1-4,10,20H,5-9H2,(H,18,21).
What are the key properties of 4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 51091370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).