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

C19H22Cl2N2 — CID 22195536

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C19H22Cl2N2/c1-15-4-2-5-16(12-15)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
InChIKeyLGNJPPQHNNHRKO-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.62
Rot. Bonds4

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

1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine (PubChem CID 22195536) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
PubChem CID22195536
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C19H22Cl2N2/c1-15-4-2-5-16(12-15)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
InChIKeyLGNJPPQHNNHRKO-UHFFFAOYSA-N
XLogP4.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
(2,3-dichlorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325337
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 46774026
N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 76956506

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine (CID 22195536) is 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine is Cc1cccc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine?
The InChIKey is LGNJPPQHNNHRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2/c1-15-4-2-5-16(12-15)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-methylphenyl)methyl]piperazine?
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine has a molecular weight of 349.31 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 22195536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).