1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine

C16H31N3 — CID 117018992

IUPAC1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine
SMILESCC1(C)CC(N2CCNCC2)CN1C1CCCCC1
InChIInChI=1S/C16H31N3/c1-16(2)12-15(18-10-8-17-9-11-18)13-19(16)14-6-4-3-5-7-14/h14-15,17H,3-13H2,1-2H3
InChIKeyWFCPKTSSUXFBDH-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds2

About 1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine

1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine (PubChem CID 117018992) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine
PubChem CID117018992
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine
SMILESCC1(C)CC(N2CCNCC2)CN1C1CCCCC1
InChIInChI=1S/C16H31N3/c1-16(2)12-15(18-10-8-17-9-11-18)13-19(16)14-6-4-3-5-7-14/h14-15,17H,3-13H2,1-2H3
InChIKeyWFCPKTSSUXFBDH-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptylpiperazine;methane
CID 143122535
1-cyclopentylpiperazine;ethane
CID 143559542
1-cycloheptyl-2,2-dimethylpiperazine
CID 65460692
1-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)piperazine
CID 117017868
2,2-dimethyl-1-azabicyclo[2.1.0]pentane
CID 153124114
1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine
CID 117018202
1-cyclohexyl-2,2-dimethyl-1,4-diazepane
CID 82241587
1-cyclobutyl-2,2-dimethylpiperazine
CID 59454526
2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol
CID 66195786
1,4-diazabicyclo[6.2.0]decane
CID 118210284
(4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine
CID 166869651
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine?
The IUPAC name of 1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine (CID 117018992) is 1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine.
What is the SMILES notation for 1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine?
The canonical SMILES for 1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine is CC1(C)CC(N2CCNCC2)CN1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine?
The InChIKey is WFCPKTSSUXFBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-16(2)12-15(18-10-8-17-9-11-18)13-19(16)14-6-4-3-5-7-14/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine?
1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine is sourced from PubChem (CID 117018992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).