4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide

C14H23F3N2O2 — CID 110895594

IUPAC4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)N1CCC(CO)CC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)18-13(21)19-6-4-10(9-20)5-7-19/h10-12,20H,1-9H2,(H,18,21)
InChIKeyCUTACXJMVBYJPP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.52
Rot. Bonds2

About 4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide (PubChem CID 110895594) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
PubChem CID110895594
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)N1CCC(CO)CC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)18-13(21)19-6-4-10(9-20)5-7-19/h10-12,20H,1-9H2,(H,18,21)
InChIKeyCUTACXJMVBYJPP-UHFFFAOYSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-Hydroxybutylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 140900473
1-[4-Fluoro-3-(trifluoromethyl)cyclohexyl]-3-[4-(4-hydroxybutylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900479
1-[4-(2-Hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900523
1-[4-[(2,2-Difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900548
1-[4-(4-Hydroxybutylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900554
1-[4-[(2,2-Difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea
CID 140900594
1-[4-Fluoro-3-(trifluoromethyl)cyclohexyl]-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900643
N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 71968507
4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
CID 75436538
4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75522549
3-(3-Hydroxypropylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 84001263
1-(4-Hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650203

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide (CID 110895594) is 4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The InChIKey is CUTACXJMVBYJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)18-13(21)19-6-4-10(9-20)5-7-19/h10-12,20H,1-9H2,(H,18,21).
What are the key properties of 4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 110895594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).