1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine

C18H21ClN2O — CID 750588

IUPAC1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2O/c1-22-18-5-3-2-4-15(18)14-20-10-12-21(13-11-20)17-8-6-16(19)7-9-17/h2-9H,10-14H2,1H3
InChIKeySMYFEBPJTZIOSJ-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine

1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine (PubChem CID 750588) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
PubChem CID750588
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2O/c1-22-18-5-3-2-4-15(18)14-20-10-12-21(13-11-20)17-8-6-16(19)7-9-17/h2-9H,10-14H2,1H3
InChIKeySMYFEBPJTZIOSJ-UHFFFAOYSA-N
XLogP3.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
5-chloro-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]benzonitrile
CID 133286179
1-(4-chlorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71602582
1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine
CID 130244404
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-(4-chlorophenyl)-4-[(2-nitrophenyl)methyl]piperazine
CID 785844
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine (CID 750588) is 1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine is COc1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine?
The InChIKey is SMYFEBPJTZIOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-22-18-5-3-2-4-15(18)14-20-10-12-21(13-11-20)17-8-6-16(19)7-9-17/h2-9H,10-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine?
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine has a molecular weight of 316.83 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 750588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).