2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C8H14ClF3N2O — CID 87602175

IUPAC2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)7(14)13-5-6-2-1-3-12-4-6;/h6,12H,1-5H2,(H,13,14);1H
InChIKeyWOGJQBHJTRQOAH-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.09
Rot. Bonds2

About 2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 87602175) has the molecular formula C8H14ClF3N2O and a molecular weight of 246.66 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID87602175
Molecular FormulaC8H14ClF3N2O
Molecular Weight246.66 g/mol
Exact Mass246.07
IUPAC Name2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)7(14)13-5-6-2-1-3-12-4-6;/h6,12H,1-5H2,(H,13,14);1H
InChIKeyWOGJQBHJTRQOAH-UHFFFAOYSA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
N-(piperidin-3-ylmethyl)acetamide
CID 4712037
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide hydrochloride
CID 42933701
N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide hydrochloride
CID 54595524
2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)acetamide
CID 17998885
N-(4-Methylpentyl)-2,2,2-trifluoroacetamide
CID 62727488
3,3,3-trifluoro-N-[(piperidin-3-yl)methyl]propanamide hydrochloride
CID 119031062
2,2,2-Trifluoro-N-(piperidin-4-yl)acetamide hydrochloride
CID 21487875
2,2,2-Trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 23297751
2,2,2-Trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone
CID 23297752
N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 24701618
(3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 28197261

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 87602175) is 2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cl.O=C(NCC1CCCNC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is WOGJQBHJTRQOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O.ClH/c9-8(10,11)7(14)13-5-6-2-1-3-12-4-6;/h6,12H,1-5H2,(H,13,14);1H.
What are the key properties of 2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 246.66 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 87602175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).