1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine

C12H22N2 — CID 165136568

IUPAC1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine
SMILESCCC12CC(CN3CCNCC3)(C1)C2
InChIInChI=1S/C12H22N2/c1-2-11-7-12(8-11,9-11)10-14-5-3-13-4-6-14/h13H,2-10H2,1H3
InChIKeyOSMNDZWNVHGPSY-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds3

About 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine

1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine (PubChem CID 165136568) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine
PubChem CID165136568
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine
SMILESCCC12CC(CN3CCNCC3)(C1)C2
InChIInChI=1S/C12H22N2/c1-2-11-7-12(8-11,9-11)10-14-5-3-13-4-6-14/h13H,2-10H2,1H3
InChIKeyOSMNDZWNVHGPSY-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-4-methyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 55159111
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1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile
CID 82505181
1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]pyridin-2-one
CID 145222506
1-[(1-fluorocyclopentyl)methyl]piperazine
CID 126845904
1-(piperazin-1-ylmethyl)cyclobutan-1-ol
CID 82503232
hydron;1-propylpiperazine;dibromide
CID 91980567
1-ethylpiperazine;methane;N-methylmethanamine
CID 68903737
1-(1-ethylcyclopropyl)piperazine
CID 83694598
1-[(1-methylsulfanylcyclohexyl)methyl]piperazine
CID 82510061
[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol
CID 82509991
1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol
CID 82506013

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine?
The IUPAC name of 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine (CID 165136568) is 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine?
The canonical SMILES for 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine is CCC12CC(CN3CCNCC3)(C1)C2.
What is the InChIKey of 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine?
The InChIKey is OSMNDZWNVHGPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-11-7-12(8-11,9-11)10-14-5-3-13-4-6-14/h13H,2-10H2,1H3.
What are the key properties of 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine?
1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine is sourced from PubChem (CID 165136568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).