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

C17H28N2O — CID 7198410

IUPAC2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine
SMILESCOc1ccc([C@@]2(CCN)C[C@@H](C)N(C)C[C@H]2C)cc1
InChIInChI=1S/C17H28N2O/c1-13-12-19(3)14(2)11-17(13,9-10-18)15-5-7-16(20-4)8-6-15/h5-8,13-14H,9-12,18H2,1-4H3/t13-,14-,17+/m1/s1
InChIKeyQCPLMTXDUPTFBC-CPUCHLNUSA-N
MW276.42 g/mol
LogP2.64
Rot. Bonds4

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

2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine (PubChem CID 7198410) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine
PubChem CID7198410
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine
SMILESCOc1ccc([C@@]2(CCN)C[C@@H](C)N(C)C[C@H]2C)cc1
InChIInChI=1S/C17H28N2O/c1-13-12-19(3)14(2)11-17(13,9-10-18)15-5-7-16(20-4)8-6-15/h5-8,13-14H,9-12,18H2,1-4H3/t13-,14-,17+/m1/s1
InChIKeyQCPLMTXDUPTFBC-CPUCHLNUSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine
CID 7358343
1-(4-methoxyphenyl)-N-[2-[(2S,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine
CID 7358347
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine
CID 3489229
N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4R,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide
CID 11899524
N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide
CID 7358418
(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
CID 7358544
(2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol
CID 98110141
(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
CID 105445465
1-(2-aminoethyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-ol
CID 83910574
[(1R)-2-(4-methoxyphenyl)-2-propan-2-ylcyclopropyl]methanamine
CID 105474852
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[2-[(2S,4R,5R)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethylamino]-4-oxobutanoate
CID 124898012
[2-(4-methoxyphenyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
CID 117194050

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine?
The IUPAC name of 2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine (CID 7198410) is 2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine?
The canonical SMILES for 2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine is COc1ccc([C@@]2(CCN)C[C@@H](C)N(C)C[C@H]2C)cc1.
What is the InChIKey of 2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine?
The InChIKey is QCPLMTXDUPTFBC-CPUCHLNUSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-12-19(3)14(2)11-17(13,9-10-18)15-5-7-16(20-4)8-6-15/h5-8,13-14H,9-12,18H2,1-4H3/t13-,14-,17+/m1/s1.
What are the key properties of 2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine?
2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 7198410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).