4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C16H21F3N2O2 — CID 111566336

IUPAC4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C16H21F3N2O2/c1-10-3-4-13(16(17,18)19)9-14(10)20-15(23)21-7-5-12(6-8-21)11(2)22/h3-4,9,11-12,22H,5-8H2,1-2H3,(H,20,23)
InChIKeyPVHRNPWTPXTKBD-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.64
Rot. Bonds2

About 4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 111566336) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID111566336
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C16H21F3N2O2/c1-10-3-4-13(16(17,18)19)9-14(10)20-15(23)21-7-5-12(6-8-21)11(2)22/h3-4,9,11-12,22H,5-8H2,1-2H3,(H,20,23)
InChIKeyPVHRNPWTPXTKBD-UHFFFAOYSA-N
XLogP3.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 111566336) is 4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide is Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is PVHRNPWTPXTKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-10-3-4-13(16(17,18)19)9-14(10)20-15(23)21-7-5-12(6-8-21)11(2)22/h3-4,9,11-12,22H,5-8H2,1-2H3,(H,20,23).
What are the key properties of 4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 111566336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).