1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine

C16H23ClN2 — CID 64838558

IUPAC1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2cccc(Cl)c2)C(C2CC2)CN1
InChIInChI=1S/C16H23ClN2/c1-16(2)11-19(15(9-18-16)13-6-7-13)10-12-4-3-5-14(17)8-12/h3-5,8,13,15,18H,6-7,9-11H2,1-2H3
InChIKeyVEKSLOYLGUNOHO-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.30
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine

1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine (PubChem CID 64838558) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
PubChem CID64838558
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2cccc(Cl)c2)C(C2CC2)CN1
InChIInChI=1S/C16H23ClN2/c1-16(2)11-19(15(9-18-16)13-6-7-13)10-12-4-3-5-14(17)8-12/h3-5,8,13,15,18H,6-7,9-11H2,1-2H3
InChIKeyVEKSLOYLGUNOHO-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

2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 82925014
2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine
CID 65317510
2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 105409978
1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64862434
2-cyclopropyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839337
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine
CID 64861791
1-[(3-chlorophenyl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane
CID 64871428
9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 64877376
1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64859758
2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine
CID 79223831
2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine
CID 64847175
1-[(2-bromo-5-methoxyphenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 65331384

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine (CID 64838558) is 1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine is CC1(C)CN(Cc2cccc(Cl)c2)C(C2CC2)CN1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine?
The InChIKey is VEKSLOYLGUNOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-16(2)11-19(15(9-18-16)13-6-7-13)10-12-4-3-5-14(17)8-12/h3-5,8,13,15,18H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine?
1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-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-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64838558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).