5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine

C18H29ClN2 — CID 64939227

IUPAC5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(c2ccc(C)c(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C18H29ClN2/c1-6-13(4)17-11-21(18(10-20-17)12(2)3)15-8-7-14(5)16(19)9-15/h7-9,12-13,17-18,20H,6,10-11H2,1-5H3
InChIKeySKTBTBLDAGHUAT-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds4

About 5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine

5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine (PubChem CID 64939227) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine
PubChem CID64939227
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(c2ccc(C)c(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C18H29ClN2/c1-6-13(4)17-11-21(18(10-20-17)12(2)3)15-8-7-14(5)16(19)9-15/h7-9,12-13,17-18,20H,6,10-11H2,1-5H3
InChIKeySKTBTBLDAGHUAT-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine
CID 64936927
5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine
CID 64952069
1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954088
5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
CID 64936737
1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952074
1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64930640
1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64938084
5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
CID 64937522
1-(3-bromo-4-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64940242
5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
CID 66254143
5-butan-2-yl-1-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64938181
1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933308

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine (CID 64939227) is 5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine is CCC(C)C1CN(c2ccc(C)c(Cl)c2)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine?
The InChIKey is SKTBTBLDAGHUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-6-13(4)17-11-21(18(10-20-17)12(2)3)15-8-7-14(5)16(19)9-15/h7-9,12-13,17-18,20H,6,10-11H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine?
5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine has a molecular weight of 308.90 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64939227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).