1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol

C22H27NO — CID 3083481

IUPAC1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol
SMILESOC1c2ccccc2CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H27NO/c24-21-20-9-5-4-8-19(20)10-12-22(21)13-16-23(17-14-22)15-11-18-6-2-1-3-7-18/h1-9,21,24H,10-17H2
InChIKeyXKIGTQXAOLOQJD-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.99
Rot. Bonds3

About 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol

1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol (PubChem CID 3083481) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol.

Molecular Properties

Compound Name1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol
PubChem CID3083481
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol
SMILESOC1c2ccccc2CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H27NO/c24-21-20-9-5-4-8-19(20)10-12-22(21)13-16-23(17-14-22)15-11-18-6-2-1-3-7-18/h1-9,21,24H,10-17H2
InChIKeyXKIGTQXAOLOQJD-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol with MolForge

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Related Compounds

Terfenadine
CID 5405
Glemanserin
CID 71781
Danitracen
CID 35758
Terfenadine, (S)-
CID 6604035
(R)-(+)-Terfenadine
CID 7048803
1-Piperidinebutanol, 4-(hydroxydiphenylmethyl)-alpha-(4-(1-methylethyl)phenyl)-
CID 24018644
3,4-dihydro-1-hydroxynaphthalene-2(1H)-spiro-4'-(1'-(2-phenylethyl)piperidine)
CID 3083480
Phenyl-[1-(4-phenyl-butyl)-piperidin-4-yl]-methanol
CID 15212883
1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]ethanol;hydrochloride
CID 22822661
SN 1796
CID 213804
(1RS)-1-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(diphenylmethyl)piperidin-1-yl)butan-1-ol
CID 59872275
Hydroxyterfenadine
CID 9805485

Frequently Asked Questions

What is the IUPAC name of 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol?
The IUPAC name of 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol (CID 3083481) is 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol.
What is the SMILES notation for 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol?
The canonical SMILES for 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol is OC1c2ccccc2CCC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol?
The InChIKey is XKIGTQXAOLOQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c24-21-20-9-5-4-8-19(20)10-12-22(21)13-16-23(17-14-22)15-11-18-6-2-1-3-7-18/h1-9,21,24H,10-17H2.
What are the key properties of 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol?
1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol has a molecular weight of 321.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol is sourced from PubChem (CID 3083481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).