2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine

C16H32N2 — CID 65089178

IUPAC2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine
SMILESCC1CN(C2CCCC(C(C)C)CC2)C(C)CN1
InChIInChI=1S/C16H32N2/c1-12(2)15-6-5-7-16(9-8-15)18-11-13(3)17-10-14(18)4/h12-17H,5-11H2,1-4H3
InChIKeyQJEAPFAIAJQTOZ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds2

About 2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine

2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine (PubChem CID 65089178) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine
PubChem CID65089178
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine
SMILESCC1CN(C2CCCC(C(C)C)CC2)C(C)CN1
InChIInChI=1S/C16H32N2/c1-12(2)15-6-5-7-16(9-8-15)18-11-13(3)17-10-14(18)4/h12-17H,5-11H2,1-4H3
InChIKeyQJEAPFAIAJQTOZ-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 64979562
1-cyclopropyl-2,5-dimethylpiperazine
CID 64954280
(2S,5S)-1-cyclopropyl-2,5-dimethylpiperazine;dihydrochloride
CID 162342302
1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine
CID 65094925
1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285
2,5-dimethyl-1-(oxepan-4-yl)piperazine
CID 65078858
2,5-dimethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64936770
2,5-dimethyl-1-(oxan-3-yl)piperazine
CID 64937625
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane
CID 65471309
5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine
CID 114122816
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine?
The IUPAC name of 2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine (CID 65089178) is 2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine.
What is the SMILES notation for 2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine?
The canonical SMILES for 2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine is CC1CN(C2CCCC(C(C)C)CC2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine?
The InChIKey is QJEAPFAIAJQTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)15-6-5-7-16(9-8-15)18-11-13(3)17-10-14(18)4/h12-17H,5-11H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine?
2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine has a molecular weight of 252.45 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine is sourced from PubChem (CID 65089178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).