1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine

C21H25ClN2O — CID 69225707

IUPAC1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine
SMILESCOc1cc(N2CCN(C3CC3c3ccccc3)CC2C)ccc1Cl
InChIInChI=1S/C21H25ClN2O/c1-15-14-23(20-13-18(20)16-6-4-3-5-7-16)10-11-24(15)17-8-9-19(22)21(12-17)25-2/h3-9,12,15,18,20H,10-11,13-14H2,1-2H3
InChIKeyPLHXFOFNOGMWQX-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine

1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine (PubChem CID 69225707) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine
PubChem CID69225707
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine
SMILESCOc1cc(N2CCN(C3CC3c3ccccc3)CC2C)ccc1Cl
InChIInChI=1S/C21H25ClN2O/c1-15-14-23(20-13-18(20)16-6-4-3-5-7-16)10-11-24(15)17-8-9-19(22)21(12-17)25-2/h3-9,12,15,18,20H,10-11,13-14H2,1-2H3
InChIKeyPLHXFOFNOGMWQX-UHFFFAOYSA-N
XLogP4.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine (CID 69225707) is 1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine is COc1cc(N2CCN(C3CC3c3ccccc3)CC2C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine?
The InChIKey is PLHXFOFNOGMWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-15-14-23(20-13-18(20)16-6-4-3-5-7-16)10-11-24(15)17-8-9-19(22)21(12-17)25-2/h3-9,12,15,18,20H,10-11,13-14H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine?
1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine has a molecular weight of 356.90 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-methyl-4-(2-phenylcyclopropyl)piperazine is sourced from PubChem (CID 69225707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).