1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine

C13H17ClN2O — CID 71242640

IUPAC1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine
SMILESClc1ccc2c(c1)OCCC2N1CCNCC1
InChIInChI=1S/C13H17ClN2O/c14-10-1-2-11-12(3-8-17-13(11)9-10)16-6-4-15-5-7-16/h1-2,9,12,15H,3-8H2
InChIKeyFVLBAEJFIJJZBN-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.07
Rot. Bonds1

About 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine

1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine (PubChem CID 71242640) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine.

Molecular Properties

Compound Name1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine
PubChem CID71242640
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine
SMILESClc1ccc2c(c1)OCCC2N1CCNCC1
InChIInChI=1S/C13H17ClN2O/c14-10-1-2-11-12(3-8-17-13(11)9-10)16-6-4-15-5-7-16/h1-2,9,12,15H,3-8H2
InChIKeyFVLBAEJFIJJZBN-UHFFFAOYSA-N
XLogP2.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine?
The IUPAC name of 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine (CID 71242640) is 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine.
What is the SMILES notation for 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine?
The canonical SMILES for 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine is Clc1ccc2c(c1)OCCC2N1CCNCC1.
What is the InChIKey of 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine?
The InChIKey is FVLBAEJFIJJZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-10-1-2-11-12(3-8-17-13(11)9-10)16-6-4-15-5-7-16/h1-2,9,12,15H,3-8H2.
What are the key properties of 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine?
1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine has a molecular weight of 252.74 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine is sourced from PubChem (CID 71242640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).