1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine

C18H21ClN2O — CID 792603

IUPAC1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C18H21ClN2O/c1-20-9-11-21(12-10-20)14-15-3-2-4-18(13-15)22-17-7-5-16(19)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyRHTVLVXDZUFGCM-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.88
Rot. Bonds4

About 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine

1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine (PubChem CID 792603) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine
PubChem CID792603
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C18H21ClN2O/c1-20-9-11-21(12-10-20)14-15-3-2-4-18(13-15)22-17-7-5-16(19)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyRHTVLVXDZUFGCM-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine (CID 792603) is 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine is CN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine?
The InChIKey is RHTVLVXDZUFGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-20-9-11-21(12-10-20)14-15-3-2-4-18(13-15)22-17-7-5-16(19)6-8-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine?
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine has a molecular weight of 316.83 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 792603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).