1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine

C16H23ClN2 — CID 64946271

IUPAC1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine
SMILESCC1CNC(C2CC2)CN1C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-11-9-18-16(13-6-7-13)10-19(11)12(2)14-4-3-5-15(17)8-14/h3-5,8,11-13,16,18H,6-7,9-10H2,1-2H3
InChIKeyIWKAGLPVWVCKCA-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.47
Rot. Bonds3

About 1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine

1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine (PubChem CID 64946271) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine
PubChem CID64946271
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine
SMILESCC1CNC(C2CC2)CN1C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-11-9-18-16(13-6-7-13)10-19(11)12(2)14-4-3-5-15(17)8-14/h3-5,8,11-13,16,18H,6-7,9-10H2,1-2H3
InChIKeyIWKAGLPVWVCKCA-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64933586
1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937944
5-cyclopropyl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64948199
5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine
CID 64947817
5-cyclohexyl-2-methyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64939615
1-[1-(3-chlorophenyl)ethyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678205
5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64860473
1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine
CID 64933898
1-[1-(3-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945730
1-[(3-chlorophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64870253
5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine
CID 64933546
1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64862434

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine (CID 64946271) is 1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine is CC1CNC(C2CC2)CN1C(C)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine?
The InChIKey is IWKAGLPVWVCKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-11-9-18-16(13-6-7-13)10-19(11)12(2)14-4-3-5-15(17)8-14/h3-5,8,11-13,16,18H,6-7,9-10H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine?
1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine has a molecular weight of 278.83 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine is sourced from PubChem (CID 64946271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).