(2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine

C18H30N2O2 — CID 6544101

IUPAC(2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCOc1ccc(CCN[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC
InChIInChI=1S/C18H30N2O2/c1-13-12-20(3)14(2)10-16(13)19-9-8-15-6-7-17(21-4)18(11-15)22-5/h6-7,11,13-14,16,19H,8-10,12H2,1-5H3/t13-,14+,16+/m0/s1
InChIKeyASIXXJPWMHNLIN-SQWLQELKSA-N
MW306.45 g/mol
LogP2.56
Rot. Bonds6

About (2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine

(2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 6544101) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID6544101
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCOc1ccc(CCN[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC
InChIInChI=1S/C18H30N2O2/c1-13-12-20(3)14(2)10-16(13)19-9-8-15-6-7-17(21-4)18(11-15)22-5/h6-7,11,13-14,16,19H,8-10,12H2,1-5H3/t13-,14+,16+/m0/s1
InChIKeyASIXXJPWMHNLIN-SQWLQELKSA-N
XLogP2.56
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 65046529
(3R,5S)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97320294
cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 30979844
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclohexan-1-amine;oxalic acid
CID 171324459
N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43717361
N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 166264057
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 2846430
N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665551
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774950
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3226633

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of (2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine (CID 6544101) is (2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for (2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for (2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine is COc1ccc(CCN[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC.
What is the InChIKey of (2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is ASIXXJPWMHNLIN-SQWLQELKSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-13-12-20(3)14(2)10-16(13)19-9-8-15-6-7-17(21-4)18(11-15)22-5/h6-7,11,13-14,16,19H,8-10,12H2,1-5H3/t13-,14+,16+/m0/s1.
What are the key properties of (2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
(2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 306.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 6544101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).