1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride

C19H36ClNO — CID 3025098

IUPAC1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride
SMILESC1CCC(C2(OCCN3CCCCC3)CCCCC2)CC1.Cl
InChIInChI=1S/C19H35NO.ClH/c1-4-10-18(11-5-1)19(12-6-2-7-13-19)21-17-16-20-14-8-3-9-15-20;/h18H,1-17H2;1H
InChIKeyJOHZOOTYDOQHKC-UHFFFAOYSA-N
MW329.96 g/mol
LogP5.19
Rot. Bonds5

About 1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride

1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride (PubChem CID 3025098) has the molecular formula C19H36ClNO and a molecular weight of 329.96 g/mol. Its IUPAC name is 1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride
PubChem CID3025098
Molecular FormulaC19H36ClNO
Molecular Weight329.96 g/mol
Exact Mass329.25
IUPAC Name1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride
SMILESC1CCC(C2(OCCN3CCCCC3)CCCCC2)CC1.Cl
InChIInChI=1S/C19H35NO.ClH/c1-4-10-18(11-5-1)19(12-6-2-7-13-19)21-17-16-20-14-8-3-9-15-20;/h18H,1-17H2;1H
InChIKeyJOHZOOTYDOQHKC-UHFFFAOYSA-N
XLogP5.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.96
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride (CID 3025098) is 1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride is C1CCC(C2(OCCN3CCCCC3)CCCCC2)CC1.Cl.
What is the InChIKey of 1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride?
The InChIKey is JOHZOOTYDOQHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO.ClH/c1-4-10-18(11-5-1)19(12-6-2-7-13-19)21-17-16-20-14-8-3-9-15-20;/h18H,1-17H2;1H.
What are the key properties of 1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride?
1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride has a molecular weight of 329.96 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine;hydrochloride is sourced from PubChem (CID 3025098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).