2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine

C11H21F3N2 — CID 81080501

IUPAC2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
SMILESCC(CN)CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-9(7-15)4-6-16-5-2-3-10(8-16)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyMYHYTPOFEFKKTR-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.25
Rot. Bonds4

About 2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine

2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine (PubChem CID 81080501) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
PubChem CID81080501
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
SMILESCC(CN)CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-9(7-15)4-6-16-5-2-3-10(8-16)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyMYHYTPOFEFKKTR-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 153197476
4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
CID 113440626
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
CID 155261854
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
CID 62573860
(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 118374749
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite
CID 144600535
4-(azetidin-1-yl)-2-methylbutan-1-amine
CID 130547472
1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine
CID 81045404
2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine
CID 129499448
1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
CID 79843616

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The IUPAC name of 2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine (CID 81080501) is 2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine.
What is the SMILES notation for 2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The canonical SMILES for 2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine is CC(CN)CCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The InChIKey is MYHYTPOFEFKKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9(7-15)4-6-16-5-2-3-10(8-16)11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of 2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 81080501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).