3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine

C11H21F3N2 — CID 43753080

IUPAC3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine
SMILESCC1CC(C)CN(C(CCN)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-8-5-9(2)7-16(6-8)10(3-4-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3
InChIKeyNBLOESVPSUDAMN-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.24
Rot. Bonds3

About 3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine

3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 43753080) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID43753080
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine
SMILESCC1CC(C)CN(C(CCN)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-8-5-9(2)7-16(6-8)10(3-4-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3
InChIKeyNBLOESVPSUDAMN-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine
CID 6487611
1,3-Dimethylpiperidin-4-amine
CID 23008883
3-(3-Methylpiperidin-1-yl)propan-1-amine
CID 33069
(1-Ethylpiperidin-3-yl)methanamine
CID 5200272
[(1-Isobutylpiperidin-3-yl)methyl]amine
CID 24274799
1-ethyl-N,3-dimethylpiperidin-4-amine
CID 54595021
(4,4-Difluoro-1-methylpiperidin-3-yl)methanamine
CID 83854893
(1-(2,2-Difluoroethyl)piperidin-4-yl)methanamine
CID 60922938
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine (CID 43753080) is 3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine is CC1CC(C)CN(C(CCN)C(F)(F)F)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is NBLOESVPSUDAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-8-5-9(2)7-16(6-8)10(3-4-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine?
3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 43753080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).