4-propoxypiperidine;hydrochloride

C8H18ClNO — CID 11492036

IUPAC4-propoxypiperidine;hydrochloride
SMILESCCCOC1CCNCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-2-7-10-8-3-5-9-6-4-8;/h8-9H,2-7H2,1H3;1H
InChIKeyHOTKDJSUABUYSP-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.59
Rot. Bonds3

About 4-propoxypiperidine;hydrochloride

4-propoxypiperidine;hydrochloride (PubChem CID 11492036) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 4-propoxypiperidine;hydrochloride.

Molecular Properties

Compound Name4-propoxypiperidine;hydrochloride
PubChem CID11492036
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name4-propoxypiperidine;hydrochloride
SMILESCCCOC1CCNCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-2-7-10-8-3-5-9-6-4-8;/h8-9H,2-7H2,1H3;1H
InChIKeyHOTKDJSUABUYSP-UHFFFAOYSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propoxypiperidine;hydrochloride?
The IUPAC name of 4-propoxypiperidine;hydrochloride (CID 11492036) is 4-propoxypiperidine;hydrochloride.
What is the SMILES notation for 4-propoxypiperidine;hydrochloride?
The canonical SMILES for 4-propoxypiperidine;hydrochloride is CCCOC1CCNCC1.Cl.
What is the InChIKey of 4-propoxypiperidine;hydrochloride?
The InChIKey is HOTKDJSUABUYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-2-7-10-8-3-5-9-6-4-8;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 4-propoxypiperidine;hydrochloride?
4-propoxypiperidine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxypiperidine;hydrochloride is sourced from PubChem (CID 11492036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).