2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine

C17H28N2 — CID 7114868

IUPAC2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine
SMILESC[C@@H]1C[C@@](CCN)(Cc2ccccc2)[C@H](C)CN1C
InChIInChI=1S/C17H28N2/c1-14-13-19(3)15(2)11-17(14,9-10-18)12-16-7-5-4-6-8-16/h4-8,14-15H,9-13,18H2,1-3H3/t14-,15-,17+/m1/s1
InChIKeyRYJLDVIZDHEQLN-INMHGKMJSA-N
MW260.43 g/mol
LogP2.92
Rot. Bonds4

About 2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine

2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine (PubChem CID 7114868) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine
PubChem CID7114868
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine
SMILESC[C@@H]1C[C@@](CCN)(Cc2ccccc2)[C@H](C)CN1C
InChIInChI=1S/C17H28N2/c1-14-13-19(3)15(2)11-17(14,9-10-18)12-16-7-5-4-6-8-16/h4-8,14-15H,9-13,18H2,1-3H3/t14-,15-,17+/m1/s1
InChIKeyRYJLDVIZDHEQLN-INMHGKMJSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile
CID 5105272
2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]acetonitrile
CID 7071083
2-[(2S,4R,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]acetonitrile
CID 6589491
(2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine
CID 915263
(2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine
CID 796177
(2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 11871665
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
(2S,4S,5R)-1,2,5-trimethyl-4-[3-(N-methylanilino)prop-1-ynyl]piperidin-4-ol
CID 7237267
2-[(2R)-2-benzyloxiran-2-yl]ethanamine
CID 151856778
4-benzyl-1-methylpiperidin-4-amine
CID 39065776
2-methyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 79332321
(2S,4S,5R)-1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-4-amine
CID 7431935

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine?
The IUPAC name of 2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine (CID 7114868) is 2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine?
The canonical SMILES for 2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine is C[C@@H]1C[C@@](CCN)(Cc2ccccc2)[C@H](C)CN1C.
What is the InChIKey of 2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine?
The InChIKey is RYJLDVIZDHEQLN-INMHGKMJSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-13-19(3)15(2)11-17(14,9-10-18)12-16-7-5-4-6-8-16/h4-8,14-15H,9-13,18H2,1-3H3/t14-,15-,17+/m1/s1.
What are the key properties of 2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine?
2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 7114868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).