6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride

C15H22Cl3FN2O — CID 171299571

IUPAC6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
SMILESCl.Cl.Oc1c(Cl)ccc(F)c1[C@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H20ClFN2O.2ClH/c16-11-4-5-12(17)13(15(11)20)14(10-2-1-3-10)19-8-6-18-7-9-19;;/h4-5,10,14,18,20H,1-3,6-9H2;2*1H/t14-;;/m0../s1
InChIKeyFUDUEVZJWAGHCE-UTLKBRERSA-N
MW371.71 g/mol
LogP3.77
Rot. Bonds3

About 6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride

6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride (PubChem CID 171299571) has the molecular formula C15H22Cl3FN2O and a molecular weight of 371.71 g/mol. Its IUPAC name is 6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride.

Molecular Properties

Compound Name6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
PubChem CID171299571
Molecular FormulaC15H22Cl3FN2O
Molecular Weight371.71 g/mol
Exact Mass370.08
IUPAC Name6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
SMILESCl.Cl.Oc1c(Cl)ccc(F)c1[C@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H20ClFN2O.2ClH/c16-11-4-5-12(17)13(15(11)20)14(10-2-1-3-10)19-8-6-18-7-9-19;;/h4-5,10,14,18,20H,1-3,6-9H2;2*1H/t14-;;/m0../s1
InChIKeyFUDUEVZJWAGHCE-UTLKBRERSA-N
XLogP3.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol
CID 171299570
3-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171297931
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171176993
1-[(S)-cyclopentyl-(2,3-dichloro-6-fluorophenyl)methyl]piperazine;hydrochloride
CID 171167632
1-[(S)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171180317
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-3,6-difluorophenol;dihydrochloride
CID 171300095
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
CID 171171500
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol;dihydrochloride
CID 171300893
1-[(S)-(2-chloro-3,6-difluorophenyl)-cyclobutylmethyl]piperazine
CID 171180450
6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171298612
1-[(S)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678
2-chloro-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171300291

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride?
The IUPAC name of 6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride (CID 171299571) is 6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride.
What is the SMILES notation for 6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride?
The canonical SMILES for 6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride is Cl.Cl.Oc1c(Cl)ccc(F)c1[C@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride?
The InChIKey is FUDUEVZJWAGHCE-UTLKBRERSA-N. The full InChI is InChI=1S/C15H20ClFN2O.2ClH/c16-11-4-5-12(17)13(15(11)20)14(10-2-1-3-10)19-8-6-18-7-9-19;;/h4-5,10,14,18,20H,1-3,6-9H2;2*1H/t14-;;/m0../s1.
What are the key properties of 6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride?
6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride has a molecular weight of 371.71 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride is sourced from PubChem (CID 171299571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).