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

C13H25F3N2 — CID 126512606

IUPAC(3S,5R)-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?/m1/s1
InChIKeyRFDOBKVLTYDTBP-UBNQGINQSA-N
MW266.35 g/mol
LogP3.17
Rot. Bonds4

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

(3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 126512606) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is (3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
PubChem CID126512606
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name(3S,5R)-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?/m1/s1
InChIKeyRFDOBKVLTYDTBP-UBNQGINQSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of (3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine (CID 126512606) is (3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for (3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for (3S,5R)-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 (3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
The InChIKey is RFDOBKVLTYDTBP-UBNQGINQSA-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?/m1/s1.
What are the key properties of (3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine?
(3S,5R)-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 (3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 126512606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).