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

C12H24ClNO — CID 126845727

IUPAC2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
SMILESC1CCC(CCC2CCOCC2)NC1.Cl
InChIInChI=1S/C12H23NO.ClH/c1-2-8-13-12(3-1)5-4-11-6-9-14-10-7-11;/h11-13H,1-10H2;1H
InChIKeyCQCXQIBRJDDDPL-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.76
Rot. Bonds3

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

2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride (PubChem CID 126845727) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
PubChem CID126845727
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
SMILESC1CCC(CCC2CCOCC2)NC1.Cl
InChIInChI=1S/C12H23NO.ClH/c1-2-8-13-12(3-1)5-4-11-6-9-14-10-7-11;/h11-13H,1-10H2;1H
InChIKeyCQCXQIBRJDDDPL-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride
CID 126845736
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210453
2-(oxan-4-ylmethoxymethyl)piperidine
CID 62383000
(2R)-2-[2-(1,3-dioxolan-2-yl)ethyl]piperidine
CID 10559432
N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine
CID 86323616
4-(2-pyrrolidin-2-ylethyl)piperidine
CID 67721299
(2R)-2-[2-(1,3-dioxan-2-yl)ethyl]piperidine
CID 10655617
3-(2-cyclopentylethyl)morpholine
CID 116928258
N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 114240374
N-methyl-N-(2-piperidin-2-ylethyl)oxan-4-amine
CID 43611270
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride (CID 126845727) is 2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride is C1CCC(CCC2CCOCC2)NC1.Cl.
What is the InChIKey of 2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride?
The InChIKey is CQCXQIBRJDDDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.ClH/c1-2-8-13-12(3-1)5-4-11-6-9-14-10-7-11;/h11-13H,1-10H2;1H.
What are the key properties of 2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride?
2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride has a molecular weight of 233.78 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 126845727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).