3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride

C17H26ClNO — CID 6602940

IUPAC3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride
SMILESC=CCC(O)(CCN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C17H25NO.ClH/c1-2-11-17(19,16-9-5-3-6-10-16)12-15-18-13-7-4-8-14-18;/h2-3,5-6,9-10,19H,1,4,7-8,11-15H2;1H
InChIKeyMXXDQIWUVSTEDQ-UHFFFAOYSA-N
MW295.85 g/mol
LogP3.75
Rot. Bonds6

About 3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride

3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride (PubChem CID 6602940) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride.

Molecular Properties

Compound Name3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride
PubChem CID6602940
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride
SMILESC=CCC(O)(CCN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C17H25NO.ClH/c1-2-11-17(19,16-9-5-3-6-10-16)12-15-18-13-7-4-8-14-18;/h2-3,5-6,9-10,19H,1,4,7-8,11-15H2;1H
InChIKeyMXXDQIWUVSTEDQ-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 53.75
H-Bond Donors ≤ 51
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 3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride?
The IUPAC name of 3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride (CID 6602940) is 3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride.
What is the SMILES notation for 3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride?
The canonical SMILES for 3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride is C=CCC(O)(CCN1CCCCC1)c1ccccc1.Cl.
What is the InChIKey of 3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride?
The InChIKey is MXXDQIWUVSTEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.ClH/c1-2-11-17(19,16-9-5-3-6-10-16)12-15-18-13-7-4-8-14-18;/h2-3,5-6,9-10,19H,1,4,7-8,11-15H2;1H.
What are the key properties of 3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride?
3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride has a molecular weight of 295.85 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-piperidin-1-ylhex-5-en-3-ol;hydrochloride is sourced from PubChem (CID 6602940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).