3-prop-2-ynoxypiperidine;hydrochloride

C8H14ClNO — CID 46735647

IUPAC3-prop-2-ynoxypiperidine;hydrochloride
SMILESC#CCOC1CCCNC1.Cl
InChIInChI=1S/C8H13NO.ClH/c1-2-6-10-8-4-3-5-9-7-8;/h1,8-9H,3-7H2;1H
InChIKeyYYXPUZALPBXJSR-UHFFFAOYSA-N
MW175.66 g/mol
LogP0.81
Rot. Bonds2

About 3-prop-2-ynoxypiperidine;hydrochloride

3-prop-2-ynoxypiperidine;hydrochloride (PubChem CID 46735647) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 3-prop-2-ynoxypiperidine;hydrochloride.

Molecular Properties

Compound Name3-prop-2-ynoxypiperidine;hydrochloride
PubChem CID46735647
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name3-prop-2-ynoxypiperidine;hydrochloride
SMILESC#CCOC1CCCNC1.Cl
InChIInChI=1S/C8H13NO.ClH/c1-2-6-10-8-4-3-5-9-7-8;/h1,8-9H,3-7H2;1H
InChIKeyYYXPUZALPBXJSR-UHFFFAOYSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynoxypiperidine;hydrochloride?
The IUPAC name of 3-prop-2-ynoxypiperidine;hydrochloride (CID 46735647) is 3-prop-2-ynoxypiperidine;hydrochloride.
What is the SMILES notation for 3-prop-2-ynoxypiperidine;hydrochloride?
The canonical SMILES for 3-prop-2-ynoxypiperidine;hydrochloride is C#CCOC1CCCNC1.Cl.
What is the InChIKey of 3-prop-2-ynoxypiperidine;hydrochloride?
The InChIKey is YYXPUZALPBXJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c1-2-6-10-8-4-3-5-9-7-8;/h1,8-9H,3-7H2;1H.
What are the key properties of 3-prop-2-ynoxypiperidine;hydrochloride?
3-prop-2-ynoxypiperidine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynoxypiperidine;hydrochloride is sourced from PubChem (CID 46735647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).