1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride

C16H27ClN2O — CID 120840123

IUPAC1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
SMILESCCc1cc(OC)ccc1CN1CC(C)NC(C)C1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-14-8-16(19-4)7-6-15(14)11-18-9-12(2)17-13(3)10-18;/h6-8,12-13,17H,5,9-11H2,1-4H3;1H
InChIKeyNVMXBSYOZAJRCT-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.86
Rot. Bonds4

About 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride

1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride (PubChem CID 120840123) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
PubChem CID120840123
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
SMILESCCc1cc(OC)ccc1CN1CC(C)NC(C)C1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-14-8-16(19-4)7-6-15(14)11-18-9-12(2)17-13(3)10-18;/h6-8,12-13,17H,5,9-11H2,1-4H3;1H
InChIKeyNVMXBSYOZAJRCT-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 120845894
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748
1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909227
1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863142
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847195
N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine
CID 120841681
(3R)-1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpiperazine
CID 113345867
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine
CID 120839930
1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923904

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride (CID 120840123) is 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride is CCc1cc(OC)ccc1CN1CC(C)NC(C)C1.Cl.
What is the InChIKey of 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride?
The InChIKey is NVMXBSYOZAJRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-5-14-8-16(19-4)7-6-15(14)11-18-9-12(2)17-13(3)10-18;/h6-8,12-13,17H,5,9-11H2,1-4H3;1H.
What are the key properties of 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride?
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120840123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).