1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine

C16H23ClN2 — CID 64860914

IUPAC1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1ccccc1Cl
InChIInChI=1S/C16H23ClN2/c1-16(2)11-18-15(12-7-8-12)10-19(16)9-13-5-3-4-6-14(13)17/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyABKLHUUHIUNDEZ-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.30
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine

1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine (PubChem CID 64860914) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
PubChem CID64860914
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1ccccc1Cl
InChIInChI=1S/C16H23ClN2/c1-16(2)11-18-15(12-7-8-12)10-19(16)9-13-5-3-4-6-14(13)17/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyABKLHUUHIUNDEZ-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 102862743
1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64859758
1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64861491
1-[(4-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 107888690
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861102
5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64862066
1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64860320
1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine
CID 115984472
5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64862069
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64862053
1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 102862525
5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64861167

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine (CID 64860914) is 1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine is CC1(C)CNC(C2CC2)CN1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The InChIKey is ABKLHUUHIUNDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-16(2)11-18-15(12-7-8-12)10-19(16)9-13-5-3-4-6-14(13)17/h3-6,12,15,18H,7-11H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine has a molecular weight of 278.83 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine is sourced from PubChem (CID 64860914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).