3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride

C12H24ClNO — CID 126845728

IUPAC3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
SMILESC1CNCC(CCC2CCOCC2)C1.Cl
InChIInChI=1S/C12H23NO.ClH/c1-2-12(10-13-7-1)4-3-11-5-8-14-9-6-11;/h11-13H,1-10H2;1H
InChIKeyFABQIKZSUIMOLN-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.61
Rot. Bonds3

About 3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride

3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride (PubChem CID 126845728) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
PubChem CID126845728
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
SMILESC1CNCC(CCC2CCOCC2)C1.Cl
InChIInChI=1S/C12H23NO.ClH/c1-2-12(10-13-7-1)4-3-11-5-8-14-9-6-11;/h11-13H,1-10H2;1H
InChIKeyFABQIKZSUIMOLN-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 126845734
3-(oxan-4-ylmethoxymethyl)piperidine
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3-(oxolan-3-ylmethyl)piperidine
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2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride
CID 126845736
3-(2-cyclohexylethyl)pyrrolidine
CID 53409214
N-methyl-N-(oxan-4-ylmethyl)-3-piperidin-3-ylpropanamide
CID 63706973
N-methyl-N-(oxolan-3-ylmethyl)-1-piperidin-3-ylmethanamine;hydrochloride
CID 119932323
1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
CID 119979197
(3S)-3-(2-iodoethyl)piperidine
CID 97168699
N-methyl-N-(piperidin-3-ylmethyl)oxan-4-amine
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3-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557757

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride?
The IUPAC name of 3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride (CID 126845728) is 3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride is C1CNCC(CCC2CCOCC2)C1.Cl.
What is the InChIKey of 3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride?
The InChIKey is FABQIKZSUIMOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.ClH/c1-2-12(10-13-7-1)4-3-11-5-8-14-9-6-11;/h11-13H,1-10H2;1H.
What are the key properties of 3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride?
3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride has a molecular weight of 233.78 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 126845728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).