3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol

C17H26N2O2 — CID 103061162

IUPAC3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
SMILESOC1CCOCC1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c20-17-6-11-21-14-16(17)13-19-9-7-18(8-10-19)12-15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2
InChIKeyXRPDVRHTHAMPDC-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.20
Rot. Bonds4

About 3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol

3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol (PubChem CID 103061162) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
PubChem CID103061162
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
SMILESOC1CCOCC1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c20-17-6-11-21-14-16(17)13-19-9-7-18(8-10-19)12-15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2
InChIKeyXRPDVRHTHAMPDC-UHFFFAOYSA-N
XLogP1.20
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
CID 103061636
4-[(4-benzylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine
CID 66265682
3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061129
3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061499
3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061519
1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
CID 106674242
2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 62616072
3-(4-phenylbutyl)oxan-4-ol
CID 106471164
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061324
3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
CID 103058461
[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62425102

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol?
The IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol (CID 103061162) is 3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol is OC1CCOCC1CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol?
The InChIKey is XRPDVRHTHAMPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-17-6-11-21-14-16(17)13-19-9-7-18(8-10-19)12-15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2.
What are the key properties of 3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol?
3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol has a molecular weight of 290.41 g/mol, XLogP of 1.20, 4 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]oxan-4-ol is sourced from PubChem (CID 103061162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).