1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride

C13H19ClN2 — CID 159302350

IUPAC1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride
SMILESCl.c1cc2c(cc1N1CCNCC1)CCC2
InChIInChI=1S/C13H18N2.ClH/c1-2-11-4-5-13(10-12(11)3-1)15-8-6-14-7-9-15;/h4-5,10,14H,1-3,6-9H2;1H
InChIKeyLBMLNIDEIFBLMU-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.01
Rot. Bonds1

About 1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride

1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride (PubChem CID 159302350) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride
PubChem CID159302350
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride
SMILESCl.c1cc2c(cc1N1CCNCC1)CCC2
InChIInChI=1S/C13H18N2.ClH/c1-2-11-4-5-13(10-12(11)3-1)15-8-6-14-7-9-15;/h4-5,10,14H,1-3,6-9H2;1H
InChIKeyLBMLNIDEIFBLMU-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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TFMPP hydrochloride
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1-(1-Naphthyl)piperazine hydrochloride
CID 2737391
1-(2,3-Xylyl)piperazine
CID 70541
1-(3,4-Xylyl)piperazine
CID 2723782
1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine
CID 98698
1-(2-Ethylphenyl)piperazine
CID 2736460
1-Biphenyl-3-yl-piperazine
CID 2756712
N-phenylindan-2-amine
CID 118068
1-(o-Tolyl)piperazine Hydrochloride
CID 12227895

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride (CID 159302350) is 1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride is Cl.c1cc2c(cc1N1CCNCC1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride?
The InChIKey is LBMLNIDEIFBLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.ClH/c1-2-11-4-5-13(10-12(11)3-1)15-8-6-14-7-9-15;/h4-5,10,14H,1-3,6-9H2;1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride?
1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride has a molecular weight of 238.76 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)piperazine;hydrochloride is sourced from PubChem (CID 159302350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).