5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine

C16H31N3 — CID 64946733

IUPAC5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine
SMILESCC1CNC(C(C)(C)C)CN1C1CCN(C2CC2)C1
InChIInChI=1S/C16H31N3/c1-12-9-17-15(16(2,3)4)11-19(12)14-7-8-18(10-14)13-5-6-13/h12-15,17H,5-11H2,1-4H3
InChIKeyHOVIDCYONCVMPI-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds2

About 5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine

5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine (PubChem CID 64946733) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine
PubChem CID64946733
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine
SMILESCC1CNC(C(C)(C)C)CN1C1CCN(C2CC2)C1
InChIInChI=1S/C16H31N3/c1-12-9-17-15(16(2,3)4)11-19(12)14-7-8-18(10-14)13-5-6-13/h12-15,17H,5-11H2,1-4H3
InChIKeyHOVIDCYONCVMPI-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 66523127
1-(1-cyclopropylpyrrolidin-3-yl)-5,5-diethyl-2-methylpiperazine
CID 64946348
1-(1-cyclopropylpyrrolidin-3-yl)-5-ethyl-2,5-dimethylpiperazine
CID 64947502
1-cyclopropyl-2,5-dimethylpiperazine
CID 64954280
(2S,5S)-1-cyclopropyl-2,5-dimethylpiperazine;dihydrochloride
CID 162342302
5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
CID 64841228
2,5-ditert-butyl-1-cyclohexylpiperazine
CID 82937382
5-tert-butyl-2-ethyl-1-(4-ethylcyclohexyl)piperazine
CID 64948153
1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine
CID 65094925
4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide
CID 64935035
5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine
CID 64933802
2,5-dimethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64936770

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine (CID 64946733) is 5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine is CC1CNC(C(C)(C)C)CN1C1CCN(C2CC2)C1.
What is the InChIKey of 5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine?
The InChIKey is HOVIDCYONCVMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-12-9-17-15(16(2,3)4)11-19(12)14-7-8-18(10-14)13-5-6-13/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine?
5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine is sourced from PubChem (CID 64946733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).