1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine

C12H22N2 — CID 167333339

IUPAC1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C23CC(C2)C3)CC1
InChIInChI=1S/C12H22N2/c1-10(2)13-3-5-14(6-4-13)12-7-11(8-12)9-12/h10-11H,3-9H2,1-2H3
InChIKeyXFSLLADYGDQZIP-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.56
Rot. Bonds2

About 1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine

1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine (PubChem CID 167333339) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine
PubChem CID167333339
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C23CC(C2)C3)CC1
InChIInChI=1S/C12H22N2/c1-10(2)13-3-5-14(6-4-13)12-7-11(8-12)9-12/h10-11H,3-9H2,1-2H3
InChIKeyXFSLLADYGDQZIP-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
[1-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)piperidin-4-yl]methanol
CID 176725141
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
CID 81320979
ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine
CID 176984800
(3R)-3-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 162438959
2,8-di(propan-2-yl)-8-azaspiro[3.6]decane
CID 170522762
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine (CID 167333339) is 1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C23CC(C2)C3)CC1.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine?
The InChIKey is XFSLLADYGDQZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)13-3-5-14(6-4-13)12-7-11(8-12)9-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine?
1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 167333339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).