1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine

C19H22Cl2N2O — CID 22195001

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C19H22Cl2N2O/c1-24-16-5-2-4-15(12-16)13-22-8-10-23(11-9-22)14-17-18(20)6-3-7-19(17)21/h2-7,12H,8-11,13-14H2,1H3
InChIKeyKQMVGCRXKIADBK-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.32
Rot. Bonds5

About 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine

1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine (PubChem CID 22195001) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
PubChem CID22195001
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C19H22Cl2N2O/c1-24-16-5-2-4-15(12-16)13-22-8-10-23(11-9-22)14-17-18(20)6-3-7-19(17)21/h2-7,12H,8-11,13-14H2,1H3
InChIKeyKQMVGCRXKIADBK-UHFFFAOYSA-N
XLogP4.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 18208594
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-[(3-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 737879

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine (CID 22195001) is 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine is COc1cccc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine?
The InChIKey is KQMVGCRXKIADBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-24-16-5-2-4-15(12-16)13-22-8-10-23(11-9-22)14-17-18(20)6-3-7-19(17)21/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine?
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine has a molecular weight of 365.30 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 22195001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).