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

C22H28ClNO — CID 3083480

IUPAC1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride
SMILESCl.OC1c2ccccc2CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H27NO.ClH/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;1H
InChIKeyWHRWZSCNJHHXMW-UHFFFAOYSA-N
MW357.93 g/mol
LogP4.41
Rot. Bonds3

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

1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride (PubChem CID 3083480) has the molecular formula C22H28ClNO and a molecular weight of 357.93 g/mol. Its IUPAC name is 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride.

Molecular Properties

Compound Name1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride
PubChem CID3083480
Molecular FormulaC22H28ClNO
Molecular Weight357.93 g/mol
Exact Mass357.19
IUPAC Name1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride
SMILESCl.OC1c2ccccc2CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H27NO.ClH/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;1H
InChIKeyWHRWZSCNJHHXMW-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride?
The IUPAC name of 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride (CID 3083480) is 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride.
What is the SMILES notation for 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride?
The canonical SMILES for 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride is Cl.OC1c2ccccc2CCC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride?
The InChIKey is WHRWZSCNJHHXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO.ClH/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;1H.
What are the key properties of 1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride?
1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol;hydrochloride has a molecular weight of 357.93 g/mol, XLogP of 4.41, 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;hydrochloride is sourced from PubChem (CID 3083480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).