1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride

C19H28ClNO — CID 54586690

IUPAC1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)CCCC21CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H27NO.ClH/c1-2-8-18-16(5-1)6-3-9-19(18)10-12-20(13-11-19)15-17-7-4-14-21-17;/h1-2,5,8,17H,3-4,6-7,9-15H2;1H
InChIKeyLEHXPAIAWVCSLV-UHFFFAOYSA-N
MW321.89 g/mol
LogP3.96
Rot. Bonds2

About 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride

1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride (PubChem CID 54586690) has the molecular formula C19H28ClNO and a molecular weight of 321.89 g/mol. Its IUPAC name is 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
PubChem CID54586690
Molecular FormulaC19H28ClNO
Molecular Weight321.89 g/mol
Exact Mass321.19
IUPAC Name1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)CCCC21CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H27NO.ClH/c1-2-8-18-16(5-1)6-3-9-19(18)10-12-20(13-11-19)15-17-7-4-14-21-17;/h1-2,5,8,17H,3-4,6-7,9-15H2;1H
InChIKeyLEHXPAIAWVCSLV-UHFFFAOYSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.89
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride (CID 54586690) is 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride is Cl.c1ccc2c(c1)CCCC21CCN(CC2CCCO2)CC1.
What is the InChIKey of 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The InChIKey is LEHXPAIAWVCSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO.ClH/c1-2-8-18-16(5-1)6-3-9-19(18)10-12-20(13-11-19)15-17-7-4-14-21-17;/h1-2,5,8,17H,3-4,6-7,9-15H2;1H.
What are the key properties of 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride has a molecular weight of 321.89 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride is sourced from PubChem (CID 54586690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).