1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride

C16H25ClF2N2O2 — CID 120906285

IUPAC1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride
SMILESCCOc1cc(CN2CC(C)NCC2C)ccc1OC(F)F.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-4-21-15-7-13(5-6-14(15)22-16(17)18)10-20-9-11(2)19-8-12(20)3;/h5-7,11-12,16,19H,4,8-10H2,1-3H3;1H
InChIKeyJZJZMCAMJROWOY-UHFFFAOYSA-N
MW350.84 g/mol
LogP3.29
Rot. Bonds6

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

1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride (PubChem CID 120906285) has the molecular formula C16H25ClF2N2O2 and a molecular weight of 350.84 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride
PubChem CID120906285
Molecular FormulaC16H25ClF2N2O2
Molecular Weight350.84 g/mol
Exact Mass350.16
IUPAC Name1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride
SMILESCCOc1cc(CN2CC(C)NCC2C)ccc1OC(F)F.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-4-21-15-7-13(5-6-14(15)22-16(17)18)10-20-9-11(2)19-8-12(20)3;/h5-7,11-12,16,19H,4,8-10H2,1-3H3;1H
InChIKeyJZJZMCAMJROWOY-UHFFFAOYSA-N
XLogP3.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.84
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine
CID 120906034
(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120905977
(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine
CID 82755517
1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906434
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine
CID 65416136
(3aS,6aR)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660864
(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937270
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylpiperazine
CID 63862972
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119717164
(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937266

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride (CID 120906285) is 1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride is CCOc1cc(CN2CC(C)NCC2C)ccc1OC(F)F.Cl.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride?
The InChIKey is JZJZMCAMJROWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2.ClH/c1-4-21-15-7-13(5-6-14(15)22-16(17)18)10-20-9-11(2)19-8-12(20)3;/h5-7,11-12,16,19H,4,8-10H2,1-3H3;1H.
What are the key properties of 1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride?
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride has a molecular weight of 350.84 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120906285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).