1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine

C12H21F3N2 — CID 66273927

IUPAC1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine
SMILESCC1CCNCC1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-9-4-5-16-7-11(9)17-6-2-3-10(8-17)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyNQJGXWBVCWXGMI-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.26
Rot. Bonds1

About 1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine

1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine (PubChem CID 66273927) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine
PubChem CID66273927
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine
SMILESCC1CCNCC1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-9-4-5-16-7-11(9)17-6-2-3-10(8-17)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyNQJGXWBVCWXGMI-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperidin-3-yl)-4-propylazepane
CID 66273079
9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 79174792
2-methyl-4-(4-methylpiperidin-3-yl)morpholine
CID 66272849
2,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79847456
3-methyl-1-(4-methylpyrrolidin-3-yl)piperidine
CID 81460806
4-methyl-3-(2-methylpyrrolidin-1-yl)piperidine
CID 66271783
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
CID 62370892
N,N-dimethyl-1-(4-methylpiperidin-3-yl)piperidin-4-amine
CID 66271353
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94916279
3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride
CID 176957482
4-(4-methylpiperidin-3-yl)-1,4-thiazinane 1-oxide
CID 66273495
(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine
CID 67315323

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine (CID 66273927) is 1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine is CC1CCNCC1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine?
The InChIKey is NQJGXWBVCWXGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-9-4-5-16-7-11(9)17-6-2-3-10(8-17)12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of 1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine?
1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine has a molecular weight of 250.31 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 66273927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).