4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride

C9H18ClNO — CID 170905632

IUPAC4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride
SMILESC=C(C)CC1(O)CCNCC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-8(2)7-9(11)3-5-10-6-4-9;/h10-11H,1,3-7H2,2H3;1H
InChIKeyZLDJNBSUBVIDJR-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.49
Rot. Bonds2

About 4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride

4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride (PubChem CID 170905632) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride
PubChem CID170905632
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride
SMILESC=C(C)CC1(O)CCNCC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-8(2)7-9(11)3-5-10-6-4-9;/h10-11H,1,3-7H2,2H3;1H
InChIKeyZLDJNBSUBVIDJR-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride?
The IUPAC name of 4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride (CID 170905632) is 4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride is C=C(C)CC1(O)CCNCC1.Cl.
What is the InChIKey of 4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride?
The InChIKey is ZLDJNBSUBVIDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-8(2)7-9(11)3-5-10-6-4-9;/h10-11H,1,3-7H2,2H3;1H.
What are the key properties of 4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride?
4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enyl)piperidin-4-ol;hydrochloride is sourced from PubChem (CID 170905632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).