1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine

C20H34N4 — CID 83978752

IUPAC1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
SMILESCC(C)c1ccc(C(CN2CCN(C)CC2)N2CCNCC2)cc1
InChIInChI=1S/C20H34N4/c1-17(2)18-4-6-19(7-5-18)20(24-10-8-21-9-11-24)16-23-14-12-22(3)13-15-23/h4-7,17,20-21H,8-16H2,1-3H3
InChIKeyKJXCOALWPYWBCF-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.00
Rot. Bonds5

About 1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine

1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine (PubChem CID 83978752) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
PubChem CID83978752
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC Name1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
SMILESCC(C)c1ccc(C(CN2CCN(C)CC2)N2CCNCC2)cc1
InChIInChI=1S/C20H34N4/c1-17(2)18-4-6-19(7-5-18)20(24-10-8-21-9-11-24)16-23-14-12-22(3)13-15-23/h4-7,17,20-21H,8-16H2,1-3H3
InChIKeyKJXCOALWPYWBCF-UHFFFAOYSA-N
XLogP2.00
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 112539500
1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
CID 171286892
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 129365376
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline
CID 83977914
1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178
4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine
CID 83978634
1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine
CID 82303050
1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978531
N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 112539324
1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
CID 83978283
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine (CID 83978752) is 1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine is CC(C)c1ccc(C(CN2CCN(C)CC2)N2CCNCC2)cc1.
What is the InChIKey of 1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine?
The InChIKey is KJXCOALWPYWBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4/c1-17(2)18-4-6-19(7-5-18)20(24-10-8-21-9-11-24)16-23-14-12-22(3)13-15-23/h4-7,17,20-21H,8-16H2,1-3H3.
What are the key properties of 1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine?
1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine has a molecular weight of 330.52 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine is sourced from PubChem (CID 83978752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).