2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine

C17H24Cl2N2 — CID 64839236

IUPAC2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(Cl)c(Cl)c2)C(C2CC2)CN1
InChIInChI=1S/C17H24Cl2N2/c1-11(2)16-10-21(17(8-20-16)13-4-5-13)9-12-3-6-14(18)15(19)7-12/h3,6-7,11,13,16-17,20H,4-5,8-10H2,1-2H3
InChIKeyUMXSPEJFXAXHAJ-UHFFFAOYSA-N
MW327.30 g/mol
LogP4.20
Rot. Bonds4

About 2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine

2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine (PubChem CID 64839236) has the molecular formula C17H24Cl2N2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine
PubChem CID64839236
Molecular FormulaC17H24Cl2N2
Molecular Weight327.30 g/mol
Exact Mass326.13
IUPAC Name2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(Cl)c(Cl)c2)C(C2CC2)CN1
InChIInChI=1S/C17H24Cl2N2/c1-11(2)16-10-21(17(8-20-16)13-4-5-13)9-12-3-6-14(18)15(19)7-12/h3,6-7,11,13,16-17,20H,4-5,8-10H2,1-2H3
InChIKeyUMXSPEJFXAXHAJ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 107888494
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 64838844
2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propylpiperazine
CID 64838200
2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 64838464
1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 102862470
1-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 79697666
1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclopropyl-5-ethylpiperazine
CID 107888537
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840035
2-cyclopropyl-1-(3-phenylpropyl)-5-propan-2-ylpiperazine
CID 64839240
2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
CID 65488983
5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine
CID 64859717
1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64862434

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine (CID 64839236) is 2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine is CC(C)C1CN(Cc2ccc(Cl)c(Cl)c2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine?
The InChIKey is UMXSPEJFXAXHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2/c1-11(2)16-10-21(17(8-20-16)13-4-5-13)9-12-3-6-14(18)15(19)7-12/h3,6-7,11,13,16-17,20H,4-5,8-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine?
2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine has a molecular weight of 327.30 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 64839236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).