(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine

C15H24N2 — CID 124709573

IUPAC(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine
SMILESC[C@@H]1[C@H](N)[C@@H](C)N(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C15H24N2/c1-11-9-17(13(3)15(16)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+/m1/s1
InChIKeyMCYADVOUXKSBRH-COMQUAJESA-N
MW232.37 g/mol
LogP2.49
Rot. Bonds2

About (2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine

(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine (PubChem CID 124709573) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine
PubChem CID124709573
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine
SMILESC[C@@H]1[C@H](N)[C@@H](C)N(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C15H24N2/c1-11-9-17(13(3)15(16)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+/m1/s1
InChIKeyMCYADVOUXKSBRH-COMQUAJESA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
CID 99723964
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
4-amino-1-benzyl-2-methylpyrrolidine-3-carbonitrile
CID 130863192
1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571
1-benzyl-6-methylpiperidin-3-amine
CID 54593768
(3aS,6R,6aS)-5-benzyl-6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 178190155
(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine
CID 124710393
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
CID 130023473
2-(1-benzyl-3-methylazetidin-2-yl)acetaldehyde
CID 123968798

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine?
The IUPAC name of (2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine (CID 124709573) is (2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine.
What is the SMILES notation for (2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine?
The canonical SMILES for (2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine is C[C@@H]1[C@H](N)[C@@H](C)N(Cc2ccccc2)C[C@H]1C.
What is the InChIKey of (2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine?
The InChIKey is MCYADVOUXKSBRH-COMQUAJESA-N. The full InChI is InChI=1S/C15H24N2/c1-11-9-17(13(3)15(16)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+/m1/s1.
What are the key properties of (2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine?
(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine is sourced from PubChem (CID 124709573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).