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

C26H37N3O2 — CID 45233381

IUPAC[2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCCC(N3CCN(c4ccccc4C)CC3)C2)cc1CO
InChIInChI=1S/C26H37N3O2/c1-3-31-26-11-10-22(17-23(26)20-30)18-27-12-6-8-24(19-27)28-13-15-29(16-14-28)25-9-5-4-7-21(25)2/h4-5,7,9-11,17,24,30H,3,6,8,12-16,18-20H2,1-2H3
InChIKeyCCRXXXKIODCOHH-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.67
Rot. Bonds7

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

[2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol (PubChem CID 45233381) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is [2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol
PubChem CID45233381
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name[2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCCC(N3CCN(c4ccccc4C)CC3)C2)cc1CO
InChIInChI=1S/C26H37N3O2/c1-3-31-26-11-10-22(17-23(26)20-30)18-27-12-6-8-24(19-27)28-13-15-29(16-14-28)25-9-5-4-7-21(25)2/h4-5,7,9-11,17,24,30H,3,6,8,12-16,18-20H2,1-2H3
InChIKeyCCRXXXKIODCOHH-UHFFFAOYSA-N
XLogP3.67
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 45249761
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide
CID 56890289
4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol
CID 51636098
[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42210689
N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide
CID 95713260
1-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137339902
2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347
[2-ethoxy-5-[[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methyl]phenyl]methanol
CID 95834986
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
1-(2-methylphenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45199090
(5-chloro-2-methoxyphenyl)-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 45251096
1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45217219

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol (CID 45233381) is [2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol is CCOc1ccc(CN2CCCC(N3CCN(c4ccccc4C)CC3)C2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol?
The InChIKey is CCRXXXKIODCOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-3-31-26-11-10-22(17-23(26)20-30)18-27-12-6-8-24(19-27)28-13-15-29(16-14-28)25-9-5-4-7-21(25)2/h4-5,7,9-11,17,24,30H,3,6,8,12-16,18-20H2,1-2H3.
What are the key properties of [2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol?
[2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol has a molecular weight of 423.60 g/mol, XLogP of 3.67, 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-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 45233381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).