(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine

C15H24N2 — CID 124710393

IUPAC(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine
SMILESC[C@@H]1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1N
InChIInChI=1S/C15H24N2/c1-11-9-12(2)17(13(3)15(11)16)10-14-7-5-4-6-8-14/h4-8,11-13,15H,9-10,16H2,1-3H3/t11-,12+,13-,15+/m1/s1
InChIKeyVLNSZQNRDVTFLY-COMQUAJESA-N
MW232.37 g/mol
LogP2.63
Rot. Bonds2

About (2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine

(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine (PubChem CID 124710393) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine
PubChem CID124710393
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine
SMILESC[C@@H]1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1N
InChIInChI=1S/C15H24N2/c1-11-9-12(2)17(13(3)15(11)16)10-14-7-5-4-6-8-14/h4-8,11-13,15H,9-10,16H2,1-3H3/t11-,12+,13-,15+/m1/s1
InChIKeyVLNSZQNRDVTFLY-COMQUAJESA-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

(2S,3S,4S,6R)-1-benzyl-2,3,6-trimethylpiperidin-4-amine
CID 95242050
(2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine
CID 95242096
1-benzyl-4-methylazetidine-2-carbaldehyde
CID 59908727
(1R,2R,4R,6S)-3-benzyl-2,4-dimethyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 124747563
(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol
CID 130863871
tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate
CID 54593744
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine
CID 83488247
(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine
CID 124709573
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine?
The IUPAC name of (2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine (CID 124710393) is (2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine.
What is the SMILES notation for (2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine?
The canonical SMILES for (2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine is C[C@@H]1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1N.
What is the InChIKey of (2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine?
The InChIKey is VLNSZQNRDVTFLY-COMQUAJESA-N. The full InChI is InChI=1S/C15H24N2/c1-11-9-12(2)17(13(3)15(11)16)10-14-7-5-4-6-8-14/h4-8,11-13,15H,9-10,16H2,1-3H3/t11-,12+,13-,15+/m1/s1.
What are the key properties of (2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine?
(2R,3S,4R,6S)-1-benzyl-2,4,6-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 (2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine is sourced from PubChem (CID 124710393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).