azane;1-benzylpiperazine

C11H19N3 — CID 174866973

IUPACazane;1-benzylpiperazine
SMILESN.c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H16N2.H3N/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;/h1-5,12H,6-10H2;1H3
InChIKeyLXZHEEFOANNNOQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.25
Rot. Bonds2

About azane;1-benzylpiperazine

azane;1-benzylpiperazine (PubChem CID 174866973) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is azane;1-benzylpiperazine.

Molecular Properties

Compound Nameazane;1-benzylpiperazine
PubChem CID174866973
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Nameazane;1-benzylpiperazine
SMILESN.c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H16N2.H3N/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;/h1-5,12H,6-10H2;1H3
InChIKeyLXZHEEFOANNNOQ-UHFFFAOYSA-N
XLogP1.25
TPSA50.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylimidazolidine;hydrochloride
CID 141144988
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine
CID 117206009
6-benzyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CID 15069690
1-benzylpiperidin-4-amine;piperazine
CID 68641719
cadmium(2+);1,8-dibenzyl-1,4,8,11-tetrazacyclotetradecane;methanol;dinitrate
CID 139155101
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
CID 134565672
[(6S)-1-benzyl-1,4-diazepan-6-yl]methanol
CID 86314075
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
[3-(piperazin-1-ylmethyl)phenyl]methanol
CID 23023149

Frequently Asked Questions

What is the IUPAC name of azane;1-benzylpiperazine?
The IUPAC name of azane;1-benzylpiperazine (CID 174866973) is azane;1-benzylpiperazine.
What is the SMILES notation for azane;1-benzylpiperazine?
The canonical SMILES for azane;1-benzylpiperazine is N.c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of azane;1-benzylpiperazine?
The InChIKey is LXZHEEFOANNNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.H3N/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;/h1-5,12H,6-10H2;1H3.
What are the key properties of azane;1-benzylpiperazine?
azane;1-benzylpiperazine has a molecular weight of 193.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-benzylpiperazine is sourced from PubChem (CID 174866973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).