1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride

C11H23Cl2FN2 — CID 126845662

IUPAC1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.FC1(CN2CCNCC2)CCCCC1
InChIInChI=1S/C11H21FN2.2ClH/c12-11(4-2-1-3-5-11)10-14-8-6-13-7-9-14;;/h13H,1-10H2;2*1H
InChIKeyYMCAYXMHMQUBON-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.41
Rot. Bonds2

About 1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride

1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride (PubChem CID 126845662) has the molecular formula C11H23Cl2FN2 and a molecular weight of 273.22 g/mol. Its IUPAC name is 1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
PubChem CID126845662
Molecular FormulaC11H23Cl2FN2
Molecular Weight273.22 g/mol
Exact Mass272.12
IUPAC Name1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.FC1(CN2CCNCC2)CCCCC1
InChIInChI=1S/C11H21FN2.2ClH/c12-11(4-2-1-3-5-11)10-14-8-6-13-7-9-14;;/h13H,1-10H2;2*1H
InChIKeyYMCAYXMHMQUBON-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-fluorocyclopentyl)methyl]piperazine
CID 126845904
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
CID 126845725
1-[(1-methylsulfanylcyclohexyl)methyl]piperazine
CID 82510061
1-[(3-fluoropiperidin-3-yl)methyl]-4-methylpiperazine
CID 84681273
1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-ol
CID 156720343
1-(piperazin-1-ylmethyl)cyclobutan-1-ol
CID 82503232
1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile
CID 82505181
N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide
CID 82511228
1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine
CID 116991229
1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile
CID 82503705
1-(piperidin-1-ylmethyl)piperazine
CID 20508970

Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride (CID 126845662) is 1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride is Cl.Cl.FC1(CN2CCNCC2)CCCCC1.
What is the InChIKey of 1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride?
The InChIKey is YMCAYXMHMQUBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2.2ClH/c12-11(4-2-1-3-5-11)10-14-8-6-13-7-9-14;;/h13H,1-10H2;2*1H.
What are the key properties of 1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride?
1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride has a molecular weight of 273.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 126845662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).