N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine

C25H36N2O3 — CID 23723689

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
SMILESCOc1ccc(CCN2CCCC(CN(C)Cc3cc(OC)ccc3OC)C2)cc1
InChIInChI=1S/C25H36N2O3/c1-26(19-22-16-24(29-3)11-12-25(22)30-4)17-21-6-5-14-27(18-21)15-13-20-7-9-23(28-2)10-8-20/h7-12,16,21H,5-6,13-15,17-19H2,1-4H3
InChIKeyOSLNEOGOAPSNCS-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.10
Rot. Bonds10

About N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine

N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 23723689) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
PubChem CID23723689
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
SMILESCOc1ccc(CCN2CCCC(CN(C)Cc3cc(OC)ccc3OC)C2)cc1
InChIInChI=1S/C25H36N2O3/c1-26(19-22-16-24(29-3)11-12-25(22)30-4)17-21-6-5-14-27(18-21)15-13-20-7-9-23(28-2)10-8-20/h7-12,16,21H,5-6,13-15,17-19H2,1-4H3
InChIKeyOSLNEOGOAPSNCS-UHFFFAOYSA-N
XLogP4.10
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine (CID 23723689) is N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine is COc1ccc(CCN2CCCC(CN(C)Cc3cc(OC)ccc3OC)C2)cc1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is OSLNEOGOAPSNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-26(19-22-16-24(29-3)11-12-25(22)30-4)17-21-6-5-14-27(18-21)15-13-20-7-9-23(28-2)10-8-20/h7-12,16,21H,5-6,13-15,17-19H2,1-4H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine?
N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 412.57 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 23723689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).