2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine

C16H26N2 — CID 83488247

IUPAC2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine
SMILESC[C@@H]1CCC(CCN)[C@H](C)N1Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-13-8-9-16(10-11-17)14(2)18(13)12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12,17H2,1-2H3/t13-,14+,16?/m1/s1
InChIKeyHVGQUPWHQDGGGN-CNYCQXTOSA-N
MW246.40 g/mol
LogP3.02
Rot. Bonds4

About 2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine

2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine (PubChem CID 83488247) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine
PubChem CID83488247
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine
SMILESC[C@@H]1CCC(CCN)[C@H](C)N1Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-13-8-9-16(10-11-17)14(2)18(13)12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12,17H2,1-2H3/t13-,14+,16?/m1/s1
InChIKeyHVGQUPWHQDGGGN-CNYCQXTOSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzyl-2-methylpiperidin-3-yl)ethanamine
CID 83850522
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
CID 83849332
(2S,3S,4S,6R)-1-benzyl-2,3,6-trimethylpiperidin-4-amine
CID 95242050
(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine
CID 101143886
(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine
CID 124710393
(2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine
CID 95242096
2-(1-benzyl-5-methylpyrrolidin-2-yl)pyridine
CID 51039568
tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate
CID 99723977
[(2S,3R)-1-benzyl-3-methylaziridin-2-yl]-dicyclohexylmethanol
CID 15415797
1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol
CID 130863871
(1R,2R,4R,6S)-3-benzyl-2,4-dimethyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 124747563
2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine
CID 68756665

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine?
The IUPAC name of 2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine (CID 83488247) is 2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine?
The canonical SMILES for 2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine is C[C@@H]1CCC(CCN)[C@H](C)N1Cc1ccccc1.
What is the InChIKey of 2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine?
The InChIKey is HVGQUPWHQDGGGN-CNYCQXTOSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-8-9-16(10-11-17)14(2)18(13)12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12,17H2,1-2H3/t13-,14+,16?/m1/s1.
What are the key properties of 2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine?
2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 83488247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).