(3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine

C13H25F3N2 — CID 135213107

IUPAC(3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
SMILESCCCC(C)(CC)N1C[C@H](N)C[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-4-6-12(3,5-2)18-8-10(13(14,15)16)7-11(17)9-18/h10-11H,4-9,17H2,1-3H3/t10-,11+,12?/m0/s1
InChIKeyRFDOBKVLTYDTBP-WIKAKEFZSA-N
MW266.35 g/mol
LogP3.17
Rot. Bonds4

About (3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine

(3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 135213107) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is (3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
PubChem CID135213107
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name(3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
SMILESCCCC(C)(CC)N1C[C@H](N)C[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-4-6-12(3,5-2)18-8-10(13(14,15)16)7-11(17)9-18/h10-11H,4-9,17H2,1-3H3/t10-,11+,12?/m0/s1
InChIKeyRFDOBKVLTYDTBP-WIKAKEFZSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4-Dimethylpiperazin-2-yl)-3-methylpentan-1-amine
CID 3052885
1-(4-Methylpiperidin-1-yl)propan-2-amine
CID 12700153
2-(3-Methylpiperidin-1-yl)propan-1-amine
CID 16641456
1-(3-Methylpiperidin-1-yl)propan-2-amine
CID 16783223
1-(3,5-Dimethylpiperidin-1-yl)propan-2-amine
CID 16794632
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
3-Methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 16791955
(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 51633656
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
1-Methyl-4-(trifluoromethyl)piperidin-3-amine
CID 20763641
2,2-difluoro-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 53873123
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine
CID 55219725

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of (3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine (CID 135213107) is (3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for (3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for (3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine is CCCC(C)(CC)N1C[C@H](N)C[C@H](C(F)(F)F)C1.
What is the InChIKey of (3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
The InChIKey is RFDOBKVLTYDTBP-WIKAKEFZSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-4-6-12(3,5-2)18-8-10(13(14,15)16)7-11(17)9-18/h10-11H,4-9,17H2,1-3H3/t10-,11+,12?/m0/s1.
What are the key properties of (3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
(3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 266.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 135213107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).