N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine

C23H34N4O2 — CID 56908817

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine
SMILESCCc1cnc(C)nc1N1CCCC(N(C)CCc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C23H34N4O2/c1-6-19-15-24-17(2)25-23(19)27-12-7-8-20(16-27)26(3)13-11-18-9-10-21(28-4)22(14-18)29-5/h9-10,14-15,20H,6-8,11-13,16H2,1-5H3
InChIKeyULFWDCPJONPJMJ-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.51
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine (PubChem CID 56908817) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine
PubChem CID56908817
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine
SMILESCCc1cnc(C)nc1N1CCCC(N(C)CCc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C23H34N4O2/c1-6-19-15-24-17(2)25-23(19)27-12-7-8-20(16-27)26(3)13-11-18-9-10-21(28-4)22(14-18)29-5/h9-10,14-15,20H,6-8,11-13,16H2,1-5H3
InChIKeyULFWDCPJONPJMJ-UHFFFAOYSA-N
XLogP3.51
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]pyridine-3-carboxylic acid
CID 95897270
(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 56861214
6-[(3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 95894366
2-[(3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-2-oxoacetamide
CID 95726350
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-amine
CID 51634488
[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 42210448
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-amine
CID 42381221
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 45233057
[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 45249482
ethyl 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidine-1-carbonyl]amino]acetate
CID 45222381
1-[(3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 42215175
5-[[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]methyl]-2-methoxyphenol
CID 51633838

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine (CID 56908817) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine is CCc1cnc(C)nc1N1CCCC(N(C)CCc2ccc(OC)c(OC)c2)C1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine?
The InChIKey is ULFWDCPJONPJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-6-19-15-24-17(2)25-23(19)27-12-7-8-20(16-27)26(3)13-11-18-9-10-21(28-4)22(14-18)29-5/h9-10,14-15,20H,6-8,11-13,16H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine has a molecular weight of 398.55 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 56908817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).