1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride

C18H22Cl2N2 — CID 24842181

IUPAC1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride
SMILESCN1CCN(C2c3ccccc3-c3ccccc32)CC1.Cl.Cl
InChIInChI=1S/C18H20N2.2ClH/c1-19-10-12-20(13-11-19)18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18;;/h2-9,18H,10-13H2,1H3;2*1H
InChIKeyQRKYFUJHNRETTE-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.85
Rot. Bonds1

About 1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride

1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride (PubChem CID 24842181) has the molecular formula C18H22Cl2N2 and a molecular weight of 337.29 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride
PubChem CID24842181
Molecular FormulaC18H22Cl2N2
Molecular Weight337.29 g/mol
Exact Mass336.12
IUPAC Name1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride
SMILESCN1CCN(C2c3ccccc3-c3ccccc32)CC1.Cl.Cl
InChIInChI=1S/C18H20N2.2ClH/c1-19-10-12-20(13-11-19)18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18;;/h2-9,18H,10-13H2,1H3;2*1H
InChIKeyQRKYFUJHNRETTE-UHFFFAOYSA-N
XLogP3.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-but-2-enedioic acid;1-(9,10-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4-methylpiperazine
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(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-4-ylethanimine
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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride?
The IUPAC name of 1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride (CID 24842181) is 1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride.
What is the SMILES notation for 1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride?
The canonical SMILES for 1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride is CN1CCN(C2c3ccccc3-c3ccccc32)CC1.Cl.Cl.
What is the InChIKey of 1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride?
The InChIKey is QRKYFUJHNRETTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.2ClH/c1-19-10-12-20(13-11-19)18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18;;/h2-9,18H,10-13H2,1H3;2*1H.
What are the key properties of 1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride?
1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride has a molecular weight of 337.29 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride is sourced from PubChem (CID 24842181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).