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

C15H28N2O2 — CID 103061519

IUPAC3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol
SMILESOC1CCOCC1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H28N2O2/c18-15-5-10-19-12-13(15)11-16-6-8-17(9-7-16)14-3-1-2-4-14/h13-15,18H,1-12H2
InChIKeyQXXAOYUCYDGCAQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.94
Rot. Bonds3

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

3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol (PubChem CID 103061519) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol
PubChem CID103061519
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol
SMILESOC1CCOCC1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H28N2O2/c18-15-5-10-19-12-13(15)11-16-6-8-17(9-7-16)14-3-1-2-4-14/h13-15,18H,1-12H2
InChIKeyQXXAOYUCYDGCAQ-UHFFFAOYSA-N
XLogP0.94
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061499
3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061129
1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
CID 106674242
4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine
CID 66246567
3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061324
3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061162
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
CID 103061636
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)cyclopentan-1-ol
CID 79925411
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-ethyloxan-4-amine
CID 103060558
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 103061639
3-[(2-ethylmorpholin-4-yl)methyl]oxan-4-ol
CID 103061280
1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
CID 126851078

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol?
The IUPAC name of 3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol (CID 103061519) is 3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol is OC1CCOCC1CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol?
The InChIKey is QXXAOYUCYDGCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c18-15-5-10-19-12-13(15)11-16-6-8-17(9-7-16)14-3-1-2-4-14/h13-15,18H,1-12H2.
What are the key properties of 3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol?
3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol has a molecular weight of 268.40 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol is sourced from PubChem (CID 103061519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).