(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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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).