2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol

C13H26N2O2 — CID 119931535

IUPAC2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(CC2CCCNC2)C1
InChIInChI=1S/C13H26N2O2/c16-7-8-17-13-4-2-6-15(11-13)10-12-3-1-5-14-9-12/h12-14,16H,1-11H2
InChIKeyKRTKKEMFYUMHQX-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.46
Rot. Bonds5

About 2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol

2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol (PubChem CID 119931535) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol
PubChem CID119931535
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(CC2CCCNC2)C1
InChIInChI=1S/C13H26N2O2/c16-7-8-17-13-4-2-6-15(11-13)10-12-3-1-5-14-9-12/h12-14,16H,1-11H2
InChIKeyKRTKKEMFYUMHQX-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine
CID 62370527
2-piperidin-3-yloxyethanol
CID 43197065
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
1-(piperidin-3-ylmethyl)-3-propan-2-ylpiperidine
CID 120848696
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride
CID 120849638
3-[(3-methylpiperidin-1-yl)methyl]azepane
CID 112546585
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 120849803

Frequently Asked Questions

What is the IUPAC name of 2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol (CID 119931535) is 2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol is OCCOC1CCCN(CC2CCCNC2)C1.
What is the InChIKey of 2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol?
The InChIKey is KRTKKEMFYUMHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c16-7-8-17-13-4-2-6-15(11-13)10-12-3-1-5-14-9-12/h12-14,16H,1-11H2.
What are the key properties of 2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol?
2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol has a molecular weight of 242.36 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 119931535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).