1-(3,4-dihydro-2H-chromen-6-yl)piperazine

C13H18N2O — CID 15485010

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)piperazine
SMILESc1cc2c(cc1N1CCNCC1)CCCO2
InChIInChI=1S/C13H18N2O/c1-2-11-10-12(3-4-13(11)16-9-1)15-7-5-14-6-8-15/h3-4,10,14H,1-2,5-9H2
InChIKeyWVLFSMOGFARRCQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.42
Rot. Bonds1

About 1-(3,4-dihydro-2H-chromen-6-yl)piperazine

1-(3,4-dihydro-2H-chromen-6-yl)piperazine (PubChem CID 15485010) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)piperazine
PubChem CID15485010
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)piperazine
SMILESc1cc2c(cc1N1CCNCC1)CCCO2
InChIInChI=1S/C13H18N2O/c1-2-11-10-12(3-4-13(11)16-9-1)15-7-5-14-6-8-15/h3-4,10,14H,1-2,5-9H2
InChIKeyWVLFSMOGFARRCQ-UHFFFAOYSA-N
XLogP1.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)piperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)piperazine (CID 15485010) is 1-(3,4-dihydro-2H-chromen-6-yl)piperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)piperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)piperazine is c1cc2c(cc1N1CCNCC1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)piperazine?
The InChIKey is WVLFSMOGFARRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-11-10-12(3-4-13(11)16-9-1)15-7-5-14-6-8-15/h3-4,10,14H,1-2,5-9H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)piperazine?
1-(3,4-dihydro-2H-chromen-6-yl)piperazine has a molecular weight of 218.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)piperazine is sourced from PubChem (CID 15485010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).