4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride

C13H26ClNO — CID 70129045

IUPAC4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride
SMILESCOCC1(C2CCCCC2)CCNCC1.Cl
InChIInChI=1S/C13H25NO.ClH/c1-15-11-13(7-9-14-10-8-13)12-5-3-2-4-6-12;/h12,14H,2-11H2,1H3;1H
InChIKeyMXDVKLPPDQNKEG-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.00
Rot. Bonds3

About 4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride

4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride (PubChem CID 70129045) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride
PubChem CID70129045
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride
SMILESCOCC1(C2CCCCC2)CCNCC1.Cl
InChIInChI=1S/C13H25NO.ClH/c1-15-11-13(7-9-14-10-8-13)12-5-3-2-4-6-12;/h12,14H,2-11H2,1H3;1H
InChIKeyMXDVKLPPDQNKEG-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride?
The IUPAC name of 4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride (CID 70129045) is 4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride?
The canonical SMILES for 4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride is COCC1(C2CCCCC2)CCNCC1.Cl.
What is the InChIKey of 4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride?
The InChIKey is MXDVKLPPDQNKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.ClH/c1-15-11-13(7-9-14-10-8-13)12-5-3-2-4-6-12;/h12,14H,2-11H2,1H3;1H.
What are the key properties of 4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride?
4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride has a molecular weight of 247.81 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride is sourced from PubChem (CID 70129045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).