2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol

C20H24ClFN2O — CID 167888942

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C20H24ClFN2O/c1-15-5-7-16(8-6-15)20(25)14-24-11-9-23(10-12-24)13-17-18(21)3-2-4-19(17)22/h2-8,20,25H,9-14H2,1H3
InChIKeyBZKLGIOUADOIBR-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.64
Rot. Bonds5

About 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol

2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol (PubChem CID 167888942) has the molecular formula C20H24ClFN2O and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol
PubChem CID167888942
Molecular FormulaC20H24ClFN2O
Molecular Weight362.88 g/mol
Exact Mass362.16
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C20H24ClFN2O/c1-15-5-7-16(8-6-15)20(25)14-24-11-9-23(10-12-24)13-17-18(21)3-2-4-19(17)22/h2-8,20,25H,9-14H2,1H3
InChIKeyBZKLGIOUADOIBR-UHFFFAOYSA-N
XLogP3.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 66551959
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 3701376
1-[(2-chloro-6-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776174
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45009865
(2S)-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 7189282
1-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 4254699
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 69054072
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195379
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124421

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol (CID 167888942) is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol?
The InChIKey is BZKLGIOUADOIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O/c1-15-5-7-16(8-6-15)20(25)14-24-11-9-23(10-12-24)13-17-18(21)3-2-4-19(17)22/h2-8,20,25H,9-14H2,1H3.
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol?
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol has a molecular weight of 362.88 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 167888942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).