[2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol

C25H34FN3O2 — CID 45217567

IUPAC[2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cc1CO
InChIInChI=1S/C25H34FN3O2/c1-2-31-25-10-5-20(16-21(25)19-30)17-27-11-3-4-24(18-27)29-14-12-28(13-15-29)23-8-6-22(26)7-9-23/h5-10,16,24,30H,2-4,11-15,17-19H2,1H3
InChIKeyQEZATXQQVIOGOE-UHFFFAOYSA-N
MW427.56 g/mol
LogP3.50
Rot. Bonds7

About [2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol

[2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol (PubChem CID 45217567) has the molecular formula C25H34FN3O2 and a molecular weight of 427.56 g/mol. Its IUPAC name is [2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol
PubChem CID45217567
Molecular FormulaC25H34FN3O2
Molecular Weight427.56 g/mol
Exact Mass427.26
IUPAC Name[2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cc1CO
InChIInChI=1S/C25H34FN3O2/c1-2-31-25-10-5-20(16-21(25)19-30)17-27-11-3-4-24(18-27)29-14-12-28(13-15-29)23-8-6-22(26)7-9-23/h5-10,16,24,30H,2-4,11-15,17-19H2,1H3
InChIKeyQEZATXQQVIOGOE-UHFFFAOYSA-N
XLogP3.50
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,4,6-Trimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride (4)
CID 91937906
1-(2-Fluorophenyl)-4-[4-(3-fluoropropoxy)benzyl]piperazine
CID 3726733
Cambridge id 5268729
CID 785703
1-Phenyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
CID 10200614
{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-phenyl-methanol
CID 10788070
1-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-ethanol
CID 10808061
4-{4-[4-(3-Piperidinopropoxy)benzyl]piperazino}benzenol
CID 2766327
1-(4-Methyl-2-prop-2-enylphenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
CID 3237971
1-(4-(4-Fluorophenyl)piperazin-1-yl)-3-(2-(1-methoxy-3-phenylpropyl)phenoxy)propan-2-ol
CID 10347549
1-(2-(3-(4-(4-Fluorophenyl)piperazin-1-yl)-2-hydroxypropoxy)phenyl)-3-phenylpropan-1-ol
CID 10436076
2-{1-(2-Ethoxybenzyl)-4-[1-(2-fluorophenyl)-4-piperidinyl]-2-piperazinyl}ethanol
CID 16189006
1-[1-(4-Ethoxybenzyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 23723259

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol (CID 45217567) is [2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol is CCOc1ccc(CN2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol?
The InChIKey is QEZATXQQVIOGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O2/c1-2-31-25-10-5-20(16-21(25)19-30)17-27-11-3-4-24(18-27)29-14-12-28(13-15-29)23-8-6-22(26)7-9-23/h5-10,16,24,30H,2-4,11-15,17-19H2,1H3.
What are the key properties of [2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol?
[2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol has a molecular weight of 427.56 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 45217567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).