1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine

C20H32N2O2 — CID 167940329

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine
SMILESCOc1ccc(CCN2CCCC(C3CCCNC3)C2)cc1OC
InChIInChI=1S/C20H32N2O2/c1-23-19-8-7-16(13-20(19)24-2)9-12-22-11-4-6-18(15-22)17-5-3-10-21-14-17/h7-8,13,17-18,21H,3-6,9-12,14-15H2,1-2H3
InChIKeyPNKDFQGJHWICNV-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.96
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine (PubChem CID 167940329) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine
PubChem CID167940329
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine
SMILESCOc1ccc(CCN2CCCC(C3CCCNC3)C2)cc1OC
InChIInChI=1S/C20H32N2O2/c1-23-19-8-7-16(13-20(19)24-2)9-12-22-11-4-6-18(15-22)17-5-3-10-21-14-17/h7-8,13,17-18,21H,3-6,9-12,14-15H2,1-2H3
InChIKeyPNKDFQGJHWICNV-UHFFFAOYSA-N
XLogP2.96
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691
1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978832
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315157
1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
CID 117469441
3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]oxymethyl]piperidine
CID 22902323
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,4-diazepane
CID 82303795
2-(4-methoxy-3-piperidin-3-yloxyphenyl)ethanol
CID 115005664

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine (CID 167940329) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine is COc1ccc(CCN2CCCC(C3CCCNC3)C2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine?
The InChIKey is PNKDFQGJHWICNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-23-19-8-7-16(13-20(19)24-2)9-12-22-11-4-6-18(15-22)17-5-3-10-21-14-17/h7-8,13,17-18,21H,3-6,9-12,14-15H2,1-2H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine has a molecular weight of 332.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine is sourced from PubChem (CID 167940329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).