3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide

C12H21F3N2O3 — CID 110896185

IUPAC3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)N1CCCC(CO)C1
InChIInChI=1S/C12H21F3N2O3/c13-12(14,15)9-20-6-2-4-16-11(19)17-5-1-3-10(7-17)8-18/h10,18H,1-9H2,(H,16,19)
InChIKeyAOYOYYYCBHAYPR-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.37
Rot. Bonds6

About 3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide (PubChem CID 110896185) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide
PubChem CID110896185
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)N1CCCC(CO)C1
InChIInChI=1S/C12H21F3N2O3/c13-12(14,15)9-20-6-2-4-16-11(19)17-5-1-3-10(7-17)8-18/h10,18H,1-9H2,(H,16,19)
InChIKeyAOYOYYYCBHAYPR-UHFFFAOYSA-N
XLogP1.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 110311485
N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75427473
3-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75506486
4-hydroxy-N-(1-methoxy-4-methylpentan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443058
3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 86817563
3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 91641743
N-[[(2R)-oxolan-2-yl]methyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97321628
N-[[(2S)-oxolan-2-yl]methyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97321629
N-[[(2R)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97321630
N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97321631
4-hydroxy-N-[(3R)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334288
4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334289

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide (CID 110896185) is 3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide is O=C(NCCCOCC(F)(F)F)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide?
The InChIKey is AOYOYYYCBHAYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c13-12(14,15)9-20-6-2-4-16-11(19)17-5-1-3-10(7-17)8-18/h10,18H,1-9H2,(H,16,19).
What are the key properties of 3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 110896185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).