4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol

C17H26N2O3 — CID 124962591

IUPAC4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol
SMILESCOc1ccccc1[C@H]1CNCCN1CC1(O)CCOCC1
InChIInChI=1S/C17H26N2O3/c1-21-16-5-3-2-4-14(16)15-12-18-8-9-19(15)13-17(20)6-10-22-11-7-17/h2-5,15,18,20H,6-13H2,1H3/t15-/m1/s1
InChIKeyHJYIWAPMRZQVTE-OAHLLOKOSA-N
MW306.41 g/mol
LogP1.18
Rot. Bonds4

About 4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol

4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol (PubChem CID 124962591) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol
PubChem CID124962591
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol
SMILESCOc1ccccc1[C@H]1CNCCN1CC1(O)CCOCC1
InChIInChI=1S/C17H26N2O3/c1-21-16-5-3-2-4-14(16)15-12-18-8-9-19(15)13-17(20)6-10-22-11-7-17/h2-5,15,18,20H,6-13H2,1H3/t15-/m1/s1
InChIKeyHJYIWAPMRZQVTE-OAHLLOKOSA-N
XLogP1.18
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109329
2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
CID 120753297
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 120753451
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 120734905
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753931
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767334
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol (CID 124962591) is 4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol is COc1ccccc1[C@H]1CNCCN1CC1(O)CCOCC1.
What is the InChIKey of 4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol?
The InChIKey is HJYIWAPMRZQVTE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-16-5-3-2-4-14(16)15-12-18-8-9-19(15)13-17(20)6-10-22-11-7-17/h2-5,15,18,20H,6-13H2,1H3/t15-/m1/s1.
What are the key properties of 4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol?
4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol has a molecular weight of 306.41 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 124962591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).