1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine

C16H32N2 — CID 134473496

IUPAC1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine
SMILESCCC(C)(C)C1(N2CCNCC2)CCCCCC1
InChIInChI=1S/C16H32N2/c1-4-15(2,3)16(9-7-5-6-8-10-16)18-13-11-17-12-14-18/h17H,4-14H2,1-3H3
InChIKeyAVRYFXWARWLEAJ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds3

About 1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine

1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine (PubChem CID 134473496) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine.

Molecular Properties

Compound Name1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine
PubChem CID134473496
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine
SMILESCCC(C)(C)C1(N2CCNCC2)CCCCCC1
InChIInChI=1S/C16H32N2/c1-4-15(2,3)16(9-7-5-6-8-10-16)18-13-11-17-12-14-18/h17H,4-14H2,1-3H3
InChIKeyAVRYFXWARWLEAJ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 164798952
1-(1-ethylcyclopropyl)piperazine
CID 83694598
4-methyl-4-(2-methylbutan-2-yl)piperidine
CID 90425347
tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate
CID 167739265
1-(2-methylbutan-2-yl)cycloheptan-1-amine
CID 90700569
1-(1-methylcyclopentyl)-1,4-diazepane
CID 64686822
1-(1-propan-2-ylcyclopentyl)piperazine
CID 83818772
ethyl 1-(1,4-diazepan-1-yl)cyclohexane-1-carboxylate
CID 54890252
2-(1-piperazin-1-ylcyclohexyl)acetic acid
CID 115035729
[(8aR)-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-yl]methanol
CID 129365913
2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol
CID 45122045
N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 131738593

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine?
The IUPAC name of 1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine (CID 134473496) is 1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine.
What is the SMILES notation for 1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine?
The canonical SMILES for 1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine is CCC(C)(C)C1(N2CCNCC2)CCCCCC1.
What is the InChIKey of 1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine?
The InChIKey is AVRYFXWARWLEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-15(2,3)16(9-7-5-6-8-10-16)18-13-11-17-12-14-18/h17H,4-14H2,1-3H3.
What are the key properties of 1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine?
1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine is sourced from PubChem (CID 134473496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).