2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol

C25H35N3O2 — CID 45249761

IUPAC2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCc1ccccc1N1CCN(C2CCCN(Cc3cccc(OCCO)c3)C2)CC1
InChIInChI=1S/C25H35N3O2/c1-21-6-2-3-10-25(21)28-14-12-27(13-15-28)23-8-5-11-26(20-23)19-22-7-4-9-24(18-22)30-17-16-29/h2-4,6-7,9-10,18,23,29H,5,8,11-17,19-20H2,1H3
InChIKeyYIQOXRWEUIZLFK-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.15
Rot. Bonds7

About 2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol

2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 45249761) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID45249761
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCc1ccccc1N1CCN(C2CCCN(Cc3cccc(OCCO)c3)C2)CC1
InChIInChI=1S/C25H35N3O2/c1-21-6-2-3-10-25(21)28-14-12-27(13-15-28)23-8-5-11-26(20-23)19-22-7-4-9-24(18-22)30-17-16-29/h2-4,6-7,9-10,18,23,29H,5,8,11-17,19-20H2,1H3
InChIKeyYIQOXRWEUIZLFK-UHFFFAOYSA-N
XLogP3.15
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol
CID 45233381
4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol
CID 51636098
3-[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzoic acid
CID 97197480
(9aS)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124784718
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide
CID 56890289
[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45225604
1-(2-methylphenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45199090
2-[1-cyclohexyl-4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 45233355
[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42095187
2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347
[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42380145
[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42380142

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol (CID 45249761) is 2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol is Cc1ccccc1N1CCN(C2CCCN(Cc3cccc(OCCO)c3)C2)CC1.
What is the InChIKey of 2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is YIQOXRWEUIZLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-21-6-2-3-10-25(21)28-14-12-27(13-15-28)23-8-5-11-26(20-23)19-22-7-4-9-24(18-22)30-17-16-29/h2-4,6-7,9-10,18,23,29H,5,8,11-17,19-20H2,1H3.
What are the key properties of 2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol?
2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 409.57 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 45249761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).