1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile

C11H19N3 — CID 82505181

IUPAC1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile
SMILESN#CC1(CN2CCNCC2)CCCC1
InChIInChI=1S/C11H19N3/c12-9-11(3-1-2-4-11)10-14-7-5-13-6-8-14/h13H,1-8,10H2
InChIKeyDSRDOSAKDQQDED-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.98
Rot. Bonds2

About 1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile

1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile (PubChem CID 82505181) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile
PubChem CID82505181
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile
SMILESN#CC1(CN2CCNCC2)CCCC1
InChIInChI=1S/C11H19N3/c12-9-11(3-1-2-4-11)10-14-7-5-13-6-8-14/h13H,1-8,10H2
InChIKeyDSRDOSAKDQQDED-UHFFFAOYSA-N
XLogP0.98
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile
CID 82503705
1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile
CID 165456483
1-[(1-fluorocyclopentyl)methyl]piperazine
CID 126845904
1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
CID 126845662
1-(piperazin-1-ylmethyl)cyclobutan-1-ol
CID 82503232
1-[(1-methylsulfanylcyclohexyl)methyl]piperazine
CID 82510061
1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile
CID 126539788
1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 126539994
N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468
1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]piperazine
CID 165136568
N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide
CID 82511228
N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43340980

Frequently Asked Questions

What is the IUPAC name of 1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile (CID 82505181) is 1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile is N#CC1(CN2CCNCC2)CCCC1.
What is the InChIKey of 1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile?
The InChIKey is DSRDOSAKDQQDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c12-9-11(3-1-2-4-11)10-14-7-5-13-6-8-14/h13H,1-8,10H2.
What are the key properties of 1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile?
1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 82505181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).