2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride

C13H27ClN2O2 — CID 120851709

IUPAC2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride
SMILESCl.OCCOC1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C13H26N2O2.ClH/c16-9-10-17-13-3-7-15(8-4-13)11-12-1-5-14-6-2-12;/h12-14,16H,1-11H2;1H
InChIKeyCFTSFWLQUAFRAW-UHFFFAOYSA-N
MW278.82 g/mol
LogP0.88
Rot. Bonds5

About 2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride

2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride (PubChem CID 120851709) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride.

Molecular Properties

Compound Name2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride
PubChem CID120851709
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride
SMILESCl.OCCOC1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C13H26N2O2.ClH/c16-9-10-17-13-3-7-15(8-4-13)11-12-1-5-14-6-2-12;/h12-14,16H,1-11H2;1H
InChIKeyCFTSFWLQUAFRAW-UHFFFAOYSA-N
XLogP0.88
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)piperidine
CID 119931133
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
piperidin-4-amine;1-(piperidin-4-ylmethyl)-4-prop-2-ynoxypiperidine
CID 177052848
1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethanol;hydrochloride
CID 119931316
1-[(4-propoxycyclohexyl)methyl]piperazine
CID 170953587
4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119932458
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
CID 115741583
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
4-(3-methylbutyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119932466

Frequently Asked Questions

What is the IUPAC name of 2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride?
The IUPAC name of 2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride (CID 120851709) is 2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride.
What is the SMILES notation for 2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride?
The canonical SMILES for 2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride is Cl.OCCOC1CCN(CC2CCNCC2)CC1.
What is the InChIKey of 2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride?
The InChIKey is CFTSFWLQUAFRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c16-9-10-17-13-3-7-15(8-4-13)11-12-1-5-14-6-2-12;/h12-14,16H,1-11H2;1H.
What are the key properties of 2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride?
2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride is sourced from PubChem (CID 120851709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).