1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine

C19H31N3O2 — CID 83978283

IUPAC1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
SMILESCOc1ccc(C(CN2CCCCC2)N2CCNCC2)cc1OC
InChIInChI=1S/C19H31N3O2/c1-23-18-7-6-16(14-19(18)24-2)17(22-12-8-20-9-13-22)15-21-10-4-3-5-11-21/h6-7,14,17,20H,3-5,8-13,15H2,1-2H3
InChIKeyPPRXBVRRTQCCFG-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.14
Rot. Bonds6

About 1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine

1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine (PubChem CID 83978283) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
PubChem CID83978283
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
SMILESCOc1ccc(C(CN2CCCCC2)N2CCNCC2)cc1OC
InChIInChI=1S/C19H31N3O2/c1-23-18-7-6-16(14-19(18)24-2)17(22-12-8-20-9-13-22)15-21-10-4-3-5-11-21/h6-7,14,17,20H,3-5,8-13,15H2,1-2H3
InChIKeyPPRXBVRRTQCCFG-UHFFFAOYSA-N
XLogP2.14
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 112539500
1-[1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylethyl]piperazine
CID 112540179
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
CID 92967700
1-[(1S)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171163032
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine (CID 83978283) is 1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine is COc1ccc(C(CN2CCCCC2)N2CCNCC2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine?
The InChIKey is PPRXBVRRTQCCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-23-18-7-6-16(14-19(18)24-2)17(22-12-8-20-9-13-22)15-21-10-4-3-5-11-21/h6-7,14,17,20H,3-5,8-13,15H2,1-2H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine?
1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine has a molecular weight of 333.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine is sourced from PubChem (CID 83978283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).