1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine

C16H23F3N2 — CID 103777389

IUPAC1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
SMILESCC(CC(F)(F)F)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H23F3N2/c1-13(10-16(17,18)19)20-15-8-5-9-21(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,13,15,20H,5,8-12H2,1H3
InChIKeyNRVADDNBQIXBRW-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.58
Rot. Bonds5

About 1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine

1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine (PubChem CID 103777389) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
PubChem CID103777389
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
SMILESCC(CC(F)(F)F)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H23F3N2/c1-13(10-16(17,18)19)20-15-8-5-9-21(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,13,15,20H,5,8-12H2,1H3
InChIKeyNRVADDNBQIXBRW-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
CID 61471775
4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 113222336
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
CID 113223834
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
CID 82712792
2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
CID 61464041
N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 113222340
1-benzyl-N-(2-methylsulfanylpropyl)piperidin-3-amine
CID 115895502
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine (CID 103777389) is 1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine is CC(CC(F)(F)F)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine?
The InChIKey is NRVADDNBQIXBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-13(10-16(17,18)19)20-15-8-5-9-21(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,13,15,20H,5,8-12H2,1H3.
What are the key properties of 1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine?
1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine has a molecular weight of 300.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine is sourced from PubChem (CID 103777389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).