(2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine

C15H24N2 — CID 95242096

IUPAC(2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine
SMILESC[C@@H]1[C@@H](C)C[C@H](N)[C@H](C)N1Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-11-9-15(16)13(3)17(12(11)2)10-14-7-5-4-6-8-14/h4-8,11-13,15H,9-10,16H2,1-3H3/t11-,12+,13-,15-/m0/s1
InChIKeyUKWBVZXKIFQVBE-XFMPKHEZSA-N
MW232.37 g/mol
LogP2.63
Rot. Bonds2

About (2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine

(2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine (PubChem CID 95242096) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine
PubChem CID95242096
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine
SMILESC[C@@H]1[C@@H](C)C[C@H](N)[C@H](C)N1Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-11-9-15(16)13(3)17(12(11)2)10-14-7-5-4-6-8-14/h4-8,11-13,15H,9-10,16H2,1-3H3/t11-,12+,13-,15-/m0/s1
InChIKeyUKWBVZXKIFQVBE-XFMPKHEZSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine
CID 124710393
(2S,3S,4S,6R)-1-benzyl-2,3,6-trimethylpiperidin-4-amine
CID 95242050
[(1S,3S,4R,5S,7S)-2-benzyl-5,7-dimethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 166815397
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
(1S)-2-benzyl-3-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 118951753
(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
CID 99723964
2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine
CID 83488247
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine
CID 124709573
(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol
CID 130863871

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine?
The IUPAC name of (2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine (CID 95242096) is (2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine.
What is the SMILES notation for (2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine?
The canonical SMILES for (2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine is C[C@@H]1[C@@H](C)C[C@H](N)[C@H](C)N1Cc1ccccc1.
What is the InChIKey of (2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine?
The InChIKey is UKWBVZXKIFQVBE-XFMPKHEZSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-9-15(16)13(3)17(12(11)2)10-14-7-5-4-6-8-14/h4-8,11-13,15H,9-10,16H2,1-3H3/t11-,12+,13-,15-/m0/s1.
What are the key properties of (2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine?
(2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine is sourced from PubChem (CID 95242096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).