1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine

C14H19ClN2 — CID 64933898

IUPAC1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine
SMILESCC1CNC(C2CC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2/c1-10-8-16-14(11-2-3-11)9-17(10)13-6-4-12(15)5-7-13/h4-7,10-11,14,16H,2-3,8-9H2,1H3
InChIKeyRMKGNYBZLFAANY-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.92
Rot. Bonds2

About 1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine

1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine (PubChem CID 64933898) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine
PubChem CID64933898
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine
SMILESCC1CNC(C2CC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2/c1-10-8-16-14(11-2-3-11)9-17(10)13-6-4-12(15)5-7-13/h4-7,10-11,14,16H,2-3,8-9H2,1H3
InChIKeyRMKGNYBZLFAANY-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64932560
1-(4-chlorophenyl)-2,5-dimethylpiperazine
CID 11572115
5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine
CID 64946803
1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine
CID 82861136
5-cyclopropyl-1-(2,6-dibromophenyl)-2-methylpiperazine
CID 107603836
5-cyclopropyl-1-(2,4-dimethylphenyl)-2-methylpiperazine
CID 64930667
5-cyclopropyl-1-(2,5-dimethoxyphenyl)-2-methylpiperazine
CID 64932759
5-cyclohexyl-2-methyl-1-pyridin-3-ylpiperazine
CID 64930554
1-(4-bromo-2,5-difluorophenyl)-5-cyclopropyl-2-methylpiperazine
CID 107608147
1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine
CID 82758492
5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64931158
5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine
CID 64933546

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine (CID 64933898) is 1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine is CC1CNC(C2CC2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine?
The InChIKey is RMKGNYBZLFAANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-10-8-16-14(11-2-3-11)9-17(10)13-6-4-12(15)5-7-13/h4-7,10-11,14,16H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine?
1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine has a molecular weight of 250.77 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine is sourced from PubChem (CID 64933898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).