6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride

C16H24ClNO3 — CID 19028876

IUPAC6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride
SMILESCOc1cc2c(cc1OC)C(O)C1(CCCCN1)CC2.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-19-13-9-11-5-7-16(6-3-4-8-17-16)15(18)12(11)10-14(13)20-2;/h9-10,15,17-18H,3-8H2,1-2H3;1H
InChIKeyGWRZWAYBCUGZJF-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.62
Rot. Bonds2

About 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride

6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride (PubChem CID 19028876) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride
PubChem CID19028876
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Name6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride
SMILESCOc1cc2c(cc1OC)C(O)C1(CCCCN1)CC2.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-19-13-9-11-5-7-16(6-3-4-8-17-16)15(18)12(11)10-14(13)20-2;/h9-10,15,17-18H,3-8H2,1-2H3;1H
InChIKeyGWRZWAYBCUGZJF-UHFFFAOYSA-N
XLogP2.62
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride?
The IUPAC name of 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride (CID 19028876) is 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride.
What is the SMILES notation for 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride?
The canonical SMILES for 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride is COc1cc2c(cc1OC)C(O)C1(CCCCN1)CC2.Cl.
What is the InChIKey of 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride?
The InChIKey is GWRZWAYBCUGZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-19-13-9-11-5-7-16(6-3-4-8-17-16)15(18)12(11)10-14(13)20-2;/h9-10,15,17-18H,3-8H2,1-2H3;1H.
What are the key properties of 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride?
6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,2'-piperidine]-1-ol;hydrochloride is sourced from PubChem (CID 19028876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).