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

C13H24N2O2 — CID 103061499

IUPAC3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
SMILESOC1CCOCC1CN1CCN(C2CC2)CC1
InChIInChI=1S/C13H24N2O2/c16-13-3-8-17-10-11(13)9-14-4-6-15(7-5-14)12-1-2-12/h11-13,16H,1-10H2
InChIKeyGDUPCEAAPNAUSD-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.16
Rot. Bonds3

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

3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol (PubChem CID 103061499) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
PubChem CID103061499
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
SMILESOC1CCOCC1CN1CCN(C2CC2)CC1
InChIInChI=1S/C13H24N2O2/c16-13-3-8-17-10-11(13)9-14-4-6-15(7-5-14)12-1-2-12/h11-13,16H,1-10H2
InChIKeyGDUPCEAAPNAUSD-UHFFFAOYSA-N
XLogP0.16
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061519
3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061129
1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
CID 106674242
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
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
4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine
CID 66246567
3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol
CID 103061771
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol?
The IUPAC name of 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol (CID 103061499) is 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol is OC1CCOCC1CN1CCN(C2CC2)CC1.
What is the InChIKey of 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol?
The InChIKey is GDUPCEAAPNAUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13-3-8-17-10-11(13)9-14-4-6-15(7-5-14)12-1-2-12/h11-13,16H,1-10H2.
What are the key properties of 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol?
3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol has a molecular weight of 240.35 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol is sourced from PubChem (CID 103061499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).