2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine

C20H34N2O — CID 144978621

IUPAC2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine
SMILESCCc1ccc(OC)cc1C1(CCN(C)C)CCN(C)C(C)C1
InChIInChI=1S/C20H34N2O/c1-7-17-8-9-18(23-6)14-19(17)20(10-12-21(3)4)11-13-22(5)16(2)15-20/h8-9,14,16H,7,10-13,15H2,1-6H3
InChIKeyMZDNQKHQQUDYQW-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.56
Rot. Bonds6

About 2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine

2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine (PubChem CID 144978621) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is 2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine
PubChem CID144978621
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine
SMILESCCc1ccc(OC)cc1C1(CCN(C)C)CCN(C)C(C)C1
InChIInChI=1S/C20H34N2O/c1-7-17-8-9-18(23-6)14-19(17)20(10-12-21(3)4)11-13-22(5)16(2)15-20/h8-9,14,16H,7,10-13,15H2,1-6H3
InChIKeyMZDNQKHQQUDYQW-UHFFFAOYSA-N
XLogP3.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine
CID 144978602
(3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine
CID 145047282
(1S,9R,13R)-1-ethyl-4-methoxy-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 71167641
(3aS,8bR)-8b-ethyl-7-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 122231230
1-[2-[(dimethylamino)methyl]-5-methoxyphenyl]cyclohexane-1,3-diol
CID 67061129
3-(1H-benzimidazol-2-yl)-1-[(3R,4R)-4-(2-ethyl-5-methoxyphenyl)-1,2,4-trimethylpiperidin-3-yl]-1-methylurea
CID 144958095
(4S)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-3-ol
CID 144623402
(4bS,8aR)-4b-[2-(dimethylamino)ethyl]-3-methoxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol
CID 57247370
3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468438
2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine
CID 169244209
(1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
CID 10106633
(8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 12518610

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine (CID 144978621) is 2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine is CCc1ccc(OC)cc1C1(CCN(C)C)CCN(C)C(C)C1.
What is the InChIKey of 2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine?
The InChIKey is MZDNQKHQQUDYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-7-17-8-9-18(23-6)14-19(17)20(10-12-21(3)4)11-13-22(5)16(2)15-20/h8-9,14,16H,7,10-13,15H2,1-6H3.
What are the key properties of 2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine?
2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine has a molecular weight of 318.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 144978621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).