4-ethynylpiperidin-4-ol;hydrochloride

C7H12ClNO — CID 126802823

IUPAC4-ethynylpiperidin-4-ol;hydrochloride
SMILESC#CC1(O)CCNCC1.Cl
InChIInChI=1S/C7H11NO.ClH/c1-2-7(9)3-5-8-6-4-7;/h1,8-9H,3-6H2;1H
InChIKeyJEYXKBUJKFWTSP-UHFFFAOYSA-N
MW161.63 g/mol
LogP0.16
Rot. Bonds

About 4-ethynylpiperidin-4-ol;hydrochloride

4-ethynylpiperidin-4-ol;hydrochloride (PubChem CID 126802823) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 4-ethynylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-ethynylpiperidin-4-ol;hydrochloride
PubChem CID126802823
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name4-ethynylpiperidin-4-ol;hydrochloride
SMILESC#CC1(O)CCNCC1.Cl
InChIInChI=1S/C7H11NO.ClH/c1-2-7(9)3-5-8-6-4-7;/h1,8-9H,3-6H2;1H
InChIKeyJEYXKBUJKFWTSP-UHFFFAOYSA-N
XLogP0.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 50.16
H-Bond Donors ≤ 52
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 4-ethynylpiperidin-4-ol;hydrochloride?
The IUPAC name of 4-ethynylpiperidin-4-ol;hydrochloride (CID 126802823) is 4-ethynylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-ethynylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 4-ethynylpiperidin-4-ol;hydrochloride is C#CC1(O)CCNCC1.Cl.
What is the InChIKey of 4-ethynylpiperidin-4-ol;hydrochloride?
The InChIKey is JEYXKBUJKFWTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.ClH/c1-2-7(9)3-5-8-6-4-7;/h1,8-9H,3-6H2;1H.
What are the key properties of 4-ethynylpiperidin-4-ol;hydrochloride?
4-ethynylpiperidin-4-ol;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 126802823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).