1-(furan-3-yl)piperazine;hydrochloride

C8H13ClN2O — CID 139391252

IUPAC1-(furan-3-yl)piperazine;hydrochloride
SMILESCl.c1cc(N2CCNCC2)co1
InChIInChI=1S/C8H12N2O.ClH/c1-6-11-7-8(1)10-4-2-9-3-5-10;/h1,6-7,9H,2-5H2;1H
InChIKeyPLRAYGPMWPFHPW-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.11
Rot. Bonds1

About 1-(furan-3-yl)piperazine;hydrochloride

1-(furan-3-yl)piperazine;hydrochloride (PubChem CID 139391252) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 1-(furan-3-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(furan-3-yl)piperazine;hydrochloride
PubChem CID139391252
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name1-(furan-3-yl)piperazine;hydrochloride
SMILESCl.c1cc(N2CCNCC2)co1
InChIInChI=1S/C8H12N2O.ClH/c1-6-11-7-8(1)10-4-2-9-3-5-10;/h1,6-7,9H,2-5H2;1H
InChIKeyPLRAYGPMWPFHPW-UHFFFAOYSA-N
XLogP1.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ammonium, (3-furyl)trimethyl-, iodide
CID 199990
4-(Furan-3-yl)morpholine
CID 12009355
3-Furylalanine
CID 22875442
3-Furylaminobutyric acid
CID 68798095
Furan-3-yl(trimethyl)azanium
CID 199991
N-(2-fluoroethyl)furan-3-amine
CID 140143628
N-(2,2-difluoroethyl)furan-3-amine
CID 151412690
4,4-Difluoro-1-(furan-3-yl)piperidine
CID 175988490
N-(furan-3-yl)pent-4-enamide
CID 11105709
N,N-diethylfuran-3-amine
CID 12009356
N-butylfuran-3-amine
CID 12009357
1-(Furan-3-yl)pyrrolidine
CID 18364766

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)piperazine;hydrochloride?
The IUPAC name of 1-(furan-3-yl)piperazine;hydrochloride (CID 139391252) is 1-(furan-3-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(furan-3-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(furan-3-yl)piperazine;hydrochloride is Cl.c1cc(N2CCNCC2)co1.
What is the InChIKey of 1-(furan-3-yl)piperazine;hydrochloride?
The InChIKey is PLRAYGPMWPFHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c1-6-11-7-8(1)10-4-2-9-3-5-10;/h1,6-7,9H,2-5H2;1H.
What are the key properties of 1-(furan-3-yl)piperazine;hydrochloride?
1-(furan-3-yl)piperazine;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)piperazine;hydrochloride is sourced from PubChem (CID 139391252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).