1-piperidin-2-ylnaphthalen-2-ol;hydrochloride

C15H18ClNO — CID 121000004

IUPAC1-piperidin-2-ylnaphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2ccccc2c1C1CCCCN1
InChIInChI=1S/C15H17NO.ClH/c17-14-9-8-11-5-1-2-6-12(11)15(14)13-7-3-4-10-16-13;/h1-2,5-6,8-9,13,16-17H,3-4,7,10H2;1H
InChIKeyFQQHJMVHWADVGG-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.78
Rot. Bonds1

About 1-piperidin-2-ylnaphthalen-2-ol;hydrochloride

1-piperidin-2-ylnaphthalen-2-ol;hydrochloride (PubChem CID 121000004) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-piperidin-2-ylnaphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-piperidin-2-ylnaphthalen-2-ol;hydrochloride
PubChem CID121000004
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-piperidin-2-ylnaphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2ccccc2c1C1CCCCN1
InChIInChI=1S/C15H17NO.ClH/c17-14-9-8-11-5-1-2-6-12(11)15(14)13-7-3-4-10-16-13;/h1-2,5-6,8-9,13,16-17H,3-4,7,10H2;1H
InChIKeyFQQHJMVHWADVGG-UHFFFAOYSA-N
XLogP3.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-2-ylnaphthalen-2-ol
CID 53391922
1-[(2S)-aziridin-2-yl]naphthalen-2-ol
CID 55262690
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
4-[(2R)-piperidin-2-yl]naphthalen-1-ol
CID 171195556
2-naphthalen-1-ylpiperidine
CID 4209523
(2S)-2-naphthalen-1-ylazepane
CID 7048283
(2S)-2-phenylpiperidine
CID 10997356
(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630
1-[[methyl(piperidin-2-ylmethyl)amino]methyl]naphthalen-2-ol
CID 106622937
4-piperidin-2-ylphenol
CID 19711202
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
6-[(2S)-piperidin-2-yl]naphthalen-2-ol;hydrochloride
CID 171194869

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-ylnaphthalen-2-ol;hydrochloride?
The IUPAC name of 1-piperidin-2-ylnaphthalen-2-ol;hydrochloride (CID 121000004) is 1-piperidin-2-ylnaphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-piperidin-2-ylnaphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-piperidin-2-ylnaphthalen-2-ol;hydrochloride is Cl.Oc1ccc2ccccc2c1C1CCCCN1.
What is the InChIKey of 1-piperidin-2-ylnaphthalen-2-ol;hydrochloride?
The InChIKey is FQQHJMVHWADVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c17-14-9-8-11-5-1-2-6-12(11)15(14)13-7-3-4-10-16-13;/h1-2,5-6,8-9,13,16-17H,3-4,7,10H2;1H.
What are the key properties of 1-piperidin-2-ylnaphthalen-2-ol;hydrochloride?
1-piperidin-2-ylnaphthalen-2-ol;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-ylnaphthalen-2-ol;hydrochloride is sourced from PubChem (CID 121000004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).