[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide

C8H14F3N2- — CID 159332377

IUPAC[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide
SMILES[NH-][C@H]1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C8H14F3N2/c9-8(10,11)3-5-13-4-1-2-7(12)6-13/h7,12H,1-6H2/q-1/t7-/m0/s1
InChIKeyLFCRPJQOUHRAJE-ZETCQYMHSA-N
MW195.21 g/mol
LogP2.46
Rot. Bonds2

About [(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide

[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide (PubChem CID 159332377) has the molecular formula C8H14F3N2- and a molecular weight of 195.21 g/mol. Its IUPAC name is [(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide.

Molecular Properties

Compound Name[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide
PubChem CID159332377
Molecular FormulaC8H14F3N2-
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide
SMILES[NH-][C@H]1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C8H14F3N2/c9-8(10,11)3-5-13-4-1-2-7(12)6-13/h7,12H,1-6H2/q-1/t7-/m0/s1
InChIKeyLFCRPJQOUHRAJE-ZETCQYMHSA-N
XLogP2.46
TPSA27.04 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883
3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine
CID 115518477
1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile
CID 115513923
3-ethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64870707
1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566121
3-(2-bromoethyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 114800427
3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 125025118
3-(2-chloroethyl)-1-(4,4,4-trifluorobutyl)piperidine
CID 115518381
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 104975435
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882
1-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]ethanamine
CID 115512948

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide?
The IUPAC name of [(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide (CID 159332377) is [(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide.
What is the SMILES notation for [(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide?
The canonical SMILES for [(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide is [NH-][C@H]1CCCN(CCC(F)(F)F)C1.
What is the InChIKey of [(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide?
The InChIKey is LFCRPJQOUHRAJE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3N2/c9-8(10,11)3-5-13-4-1-2-7(12)6-13/h7,12H,1-6H2/q-1/t7-/m0/s1.
What are the key properties of [(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide?
[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide has a molecular weight of 195.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide is sourced from PubChem (CID 159332377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).