6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride

C17H22ClNO2 — CID 20541877

IUPAC6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride
SMILESCl.Oc1cc2ccc(CCN3CCCCC3)cc2cc1O
InChIInChI=1S/C17H21NO2.ClH/c19-16-11-14-5-4-13(10-15(14)12-17(16)20)6-9-18-7-2-1-3-8-18;/h4-5,10-12,19-20H,1-3,6-9H2;1H
InChIKeyVRRHVFDRBKUSEK-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.70
Rot. Bonds3

About 6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride

6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride (PubChem CID 20541877) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride.

Molecular Properties

Compound Name6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride
PubChem CID20541877
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride
SMILESCl.Oc1cc2ccc(CCN3CCCCC3)cc2cc1O
InChIInChI=1S/C17H21NO2.ClH/c19-16-11-14-5-4-13(10-15(14)12-17(16)20)6-9-18-7-2-1-3-8-18;/h4-5,10-12,19-20H,1-3,6-9H2;1H
InChIKeyVRRHVFDRBKUSEK-UHFFFAOYSA-N
XLogP3.70
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[2-(aziridin-1-yl)ethyl]benzene-1,2-diol
CID 57253263
1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine
CID 57495495
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine
CID 177291992
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-ol
CID 117403000
2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol
CID 174438456
2,3-dimethoxy-5-(2-piperidin-1-ylethyl)phenol
CID 174530545
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]piperidin-4-ol
CID 71034592

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride?
The IUPAC name of 6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride (CID 20541877) is 6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride.
What is the SMILES notation for 6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride?
The canonical SMILES for 6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride is Cl.Oc1cc2ccc(CCN3CCCCC3)cc2cc1O.
What is the InChIKey of 6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride?
The InChIKey is VRRHVFDRBKUSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c19-16-11-14-5-4-13(10-15(14)12-17(16)20)6-9-18-7-2-1-3-8-18;/h4-5,10-12,19-20H,1-3,6-9H2;1H.
What are the key properties of 6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride?
6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride is sourced from PubChem (CID 20541877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).