[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol

C17H26N2O2 — CID 62270720

IUPAC[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
SMILESOCC1(CN2CCN(Cc3ccccc3)CC2)CCOC1
InChIInChI=1S/C17H26N2O2/c20-14-17(6-11-21-15-17)13-19-9-7-18(8-10-19)12-16-4-2-1-3-5-16/h1-5,20H,6-15H2
InChIKeyCGVCHZKWWYYJKR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.20
Rot. Bonds5

About [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol

[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol (PubChem CID 62270720) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
PubChem CID62270720
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
SMILESOCC1(CN2CCN(Cc3ccccc3)CC2)CCOC1
InChIInChI=1S/C17H26N2O2/c20-14-17(6-11-21-15-17)13-19-9-7-18(8-10-19)12-16-4-2-1-3-5-16/h1-5,20H,6-15H2
InChIKeyCGVCHZKWWYYJKR-UHFFFAOYSA-N
XLogP1.20
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62264134
[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol
CID 62270372
[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270019
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976536
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63005068
[1-(4-benzylpiperazin-1-yl)cyclopropyl]methanol
CID 126508832
9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 58299624
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
[1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91783379
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63620081
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390

Frequently Asked Questions

What is the IUPAC name of [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol (CID 62270720) is [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol is OCC1(CN2CCN(Cc3ccccc3)CC2)CCOC1.
What is the InChIKey of [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The InChIKey is CGVCHZKWWYYJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-14-17(6-11-21-15-17)13-19-9-7-18(8-10-19)12-16-4-2-1-3-5-16/h1-5,20H,6-15H2.
What are the key properties of [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol has a molecular weight of 290.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 62270720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).