4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine

C10H19F3N2 — CID 43753062

IUPAC4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine
SMILESCC1CCCN(C(CCN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-8-3-2-6-15(7-8)9(4-5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyACCDRIUKLGCRSP-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds3

About 4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine

4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine (PubChem CID 43753062) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine
PubChem CID43753062
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine
SMILESCC1CCCN(C(CCN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-8-3-2-6-15(7-8)9(4-5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyACCDRIUKLGCRSP-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
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 4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine (CID 43753062) is 4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine is CC1CCCN(C(CCN)C(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is ACCDRIUKLGCRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-8-3-2-6-15(7-8)9(4-5-14)10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine?
4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 43753062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).