1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

C9H15F3N2O2 — CID 63902043

IUPAC1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)5-14-3-1-2-6(4-14)8(13)16/h6-7,15H,1-5H2,(H2,13,16)
InChIKeyWITIHRWCTIWXGR-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.11
Rot. Bonds3

About 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 63902043) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
PubChem CID63902043
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)5-14-3-1-2-6(4-14)8(13)16/h6-7,15H,1-5H2,(H2,13,16)
InChIKeyWITIHRWCTIWXGR-UHFFFAOYSA-N
XLogP0.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone
CID 63901490
ethyl (3S)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxylate
CID 113330813
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide
CID 23456665
2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid
CID 65443827
3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63901840
4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide
CID 140671769
1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (CID 63902043) is 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is NC(=O)C1CCCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is WITIHRWCTIWXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)7(15)5-14-3-1-2-6(4-14)8(13)16/h6-7,15H,1-5H2,(H2,13,16).
What are the key properties of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 63902043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).