(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine

C16H29F3N2 — CID 51633656

IUPAC(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
SMILESFC(F)(F)CCCN[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H29F3N2/c17-16(18,19)9-5-10-20-15-8-4-11-21(13-15)12-14-6-2-1-3-7-14/h14-15,20H,1-13H2/t15-/m0/s1
InChIKeyRGDMUEHPOQKTJY-HNNXBMFYSA-N
MW306.42 g/mol
LogP3.96
Rot. Bonds6

About (3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine

(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine (PubChem CID 51633656) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
PubChem CID51633656
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC Name(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
SMILESFC(F)(F)CCCN[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H29F3N2/c17-16(18,19)9-5-10-20-15-8-4-11-21(13-15)12-14-6-2-1-3-7-14/h14-15,20H,1-13H2/t15-/m0/s1
InChIKeyRGDMUEHPOQKTJY-HNNXBMFYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclohexylmethyl)piperazine
CID 2735885
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
1-(4,4-Difluorocyclohexyl)piperazine
CID 130949503
1-(4-Methylcyclohexyl)piperazine
CID 796165
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
9,9-Difluoro-1-methyl-1,4-diazaspiro[5.5]undecane dihydrochloride
CID 177801805
(4-Methylcyclohexyl)[2-(1-piperidinyl)ethyl]amine
CID 3525972
1-cyclohexyl-N-(2-piperidin-1-ylethyl)pentan-2-amine
CID 172451235
2-methyl-N-(2-piperidin-1-ylethyl)cyclohexan-1-amine
CID 60688929
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
2-(4-Fluorocyclohexyl)-5-methylpiperazine
CID 20603163
(S)-2-isobutyl-1-(2,2,2-trifluoroethyl)piperazine
CID 58612005

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine?
The IUPAC name of (3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine (CID 51633656) is (3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine is FC(F)(F)CCCN[C@H]1CCCN(CC2CCCCC2)C1.
What is the InChIKey of (3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine?
The InChIKey is RGDMUEHPOQKTJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H29F3N2/c17-16(18,19)9-5-10-20-15-8-4-11-21(13-15)12-14-6-2-1-3-7-14/h14-15,20H,1-13H2/t15-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine?
(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine has a molecular weight of 306.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine is sourced from PubChem (CID 51633656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).