4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride

C19H30ClFN2O — CID 23111414

IUPAC4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride
SMILESCl.Oc1ccc(N2CCN(CCCC3CCCCC3)CC2)cc1F
InChIInChI=1S/C19H29FN2O.ClH/c20-18-15-17(8-9-19(18)23)22-13-11-21(12-14-22)10-4-7-16-5-2-1-3-6-16;/h8-9,15-16,23H,1-7,10-14H2;1H
InChIKeyCZZNXZFXGVLVGE-UHFFFAOYSA-N
MW356.91 g/mol
LogP4.44
Rot. Bonds5

About 4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride

4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride (PubChem CID 23111414) has the molecular formula C19H30ClFN2O and a molecular weight of 356.91 g/mol. Its IUPAC name is 4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride
PubChem CID23111414
Molecular FormulaC19H30ClFN2O
Molecular Weight356.91 g/mol
Exact Mass356.20
IUPAC Name4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride
SMILESCl.Oc1ccc(N2CCN(CCCC3CCCCC3)CC2)cc1F
InChIInChI=1S/C19H29FN2O.ClH/c20-18-15-17(8-9-19(18)23)22-13-11-21(12-14-22)10-4-7-16-5-2-1-3-6-16;/h8-9,15-16,23H,1-7,10-14H2;1H
InChIKeyCZZNXZFXGVLVGE-UHFFFAOYSA-N
XLogP4.44
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.91
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride?
The IUPAC name of 4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride (CID 23111414) is 4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride.
What is the SMILES notation for 4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride?
The canonical SMILES for 4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride is Cl.Oc1ccc(N2CCN(CCCC3CCCCC3)CC2)cc1F.
What is the InChIKey of 4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride?
The InChIKey is CZZNXZFXGVLVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O.ClH/c20-18-15-17(8-9-19(18)23)22-13-11-21(12-14-22)10-4-7-16-5-2-1-3-6-16;/h8-9,15-16,23H,1-7,10-14H2;1H.
What are the key properties of 4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride?
4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride has a molecular weight of 356.91 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride is sourced from PubChem (CID 23111414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).