[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone

C17H22F3N3O2 — CID 54591673

IUPAC[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(N2CCCCC2)n1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)16(25)7-11-23(12-8-16)15(24)13-5-4-6-14(21-13)22-9-2-1-3-10-22/h4-6,25H,1-3,7-12H2
InChIKeySYFGREJKLSTTNJ-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.60
Rot. Bonds2

About [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone

[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone (PubChem CID 54591673) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone
PubChem CID54591673
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(N2CCCCC2)n1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)16(25)7-11-23(12-8-16)15(24)13-5-4-6-14(21-13)22-9-2-1-3-10-22/h4-6,25H,1-3,7-12H2
InChIKeySYFGREJKLSTTNJ-UHFFFAOYSA-N
XLogP2.60
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 67464734
N-cyclopropyl-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 67466571
N-cyclohexyl-6-(piperidin-1-yl)picolinamide
CID 67467060
N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 67467847
Pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2999969
2-(2-Hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70734048
1-(6-Carbamoylpyridin-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 145867408
6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 72838894
N-methyl-6-[(3S)-3-(2-methylpropanoylamino)piperidin-1-yl]pyridine-2-carboxamide
CID 97596258
(6-amino-2-pyridinyl)-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 100237674
6-[4-[[(1R)-1-[(3S)-piperidin-3-yl]ethyl]carbamoyl]piperidin-1-yl]pyridine-2-carboxamide
CID 177662360
(4-Cyclobutylpiperazin-1-yl)-[1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methanone
CID 11269478

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone?
The IUPAC name of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone (CID 54591673) is [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone?
The canonical SMILES for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone is O=C(c1cccc(N2CCCCC2)n1)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone?
The InChIKey is SYFGREJKLSTTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)16(25)7-11-23(12-8-16)15(24)13-5-4-6-14(21-13)22-9-2-1-3-10-22/h4-6,25H,1-3,7-12H2.
What are the key properties of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone?
[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone has a molecular weight of 357.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(6-piperidin-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 54591673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).