1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine

C16H27F3N4 — CID 70879299

IUPAC1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
SMILESCC(C)CN(Cc1cn(C)nc1C(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C16H27F3N4/c1-12(2)9-23(14-5-7-21(3)8-6-14)11-13-10-22(4)20-15(13)16(17,18)19/h10,12,14H,5-9,11H2,1-4H3
InChIKeyFKFCKWBAJAOMAK-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.99
Rot. Bonds5

About 1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine

1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine (PubChem CID 70879299) has the molecular formula C16H27F3N4 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
PubChem CID70879299
Molecular FormulaC16H27F3N4
Molecular Weight332.41 g/mol
Exact Mass332.22
IUPAC Name1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
SMILESCC(C)CN(Cc1cn(C)nc1C(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C16H27F3N4/c1-12(2)9-23(14-5-7-21(3)8-6-14)11-13-10-22(4)20-15(13)16(17,18)19/h10,12,14H,5-9,11H2,1-4H3
InChIKeyFKFCKWBAJAOMAK-UHFFFAOYSA-N
XLogP2.99
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110225820
1,4-Dimethyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420924
4-[1-[(1-Ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine
CID 91921270
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 52379211
1-[[3-(Difluoromethyl)-1-methylpyrazol-4-yl]methyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 86796782
N-cyclopentyl-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 91767126
N-[(2S)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine
CID 95047518
(2S)-1-[1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 95713039
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine
CID 97244177
(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine
CID 129488065
4-Ethoxy-4-methyl-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine
CID 137971939
1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2779429

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine (CID 70879299) is 1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine is CC(C)CN(Cc1cn(C)nc1C(F)(F)F)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is FKFCKWBAJAOMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N4/c1-12(2)9-23(14-5-7-21(3)8-6-14)11-13-10-22(4)20-15(13)16(17,18)19/h10,12,14H,5-9,11H2,1-4H3.
What are the key properties of 1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine?
1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 332.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 70879299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).