7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride

C30H35Cl2NO — CID 23361140

IUPAC7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
SMILESCl.Clc1ccccc1COc1ccc2c(c1)CCC1(CCCCN1CCCc1ccccc1)C2
InChIInChI=1S/C30H34ClNO.ClH/c31-29-13-5-4-12-27(29)23-33-28-15-14-26-22-30(18-16-25(26)21-28)17-6-7-19-32(30)20-8-11-24-9-2-1-3-10-24;/h1-5,9-10,12-15,21H,6-8,11,16-20,22-23H2;1H
InChIKeyIJZZXVUDXDIJDO-UHFFFAOYSA-N
MW496.52 g/mol
LogP7.69
Rot. Bonds7

About 7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride

7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride (PubChem CID 23361140) has the molecular formula C30H35Cl2NO and a molecular weight of 496.52 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride.

Molecular Properties

Compound Name7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
PubChem CID23361140
Molecular FormulaC30H35Cl2NO
Molecular Weight496.52 g/mol
Exact Mass495.21
IUPAC Name7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
SMILESCl.Clc1ccccc1COc1ccc2c(c1)CCC1(CCCCN1CCCc1ccccc1)C2
InChIInChI=1S/C30H34ClNO.ClH/c31-29-13-5-4-12-27(29)23-33-28-15-14-26-22-30(18-16-25(26)21-28)17-6-7-19-32(30)20-8-11-24-9-2-1-3-10-24;/h1-5,9-10,12-15,21H,6-8,11,16-20,22-23H2;1H
InChIKeyIJZZXVUDXDIJDO-UHFFFAOYSA-N
XLogP7.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.52
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride?
The IUPAC name of 7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride (CID 23361140) is 7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride.
What is the SMILES notation for 7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride?
The canonical SMILES for 7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride is Cl.Clc1ccccc1COc1ccc2c(c1)CCC1(CCCCN1CCCc1ccccc1)C2.
What is the InChIKey of 7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride?
The InChIKey is IJZZXVUDXDIJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClNO.ClH/c31-29-13-5-4-12-27(29)23-33-28-15-14-26-22-30(18-16-25(26)21-28)17-6-7-19-32(30)20-8-11-24-9-2-1-3-10-24;/h1-5,9-10,12-15,21H,6-8,11,16-20,22-23H2;1H.
What are the key properties of 7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride?
7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride has a molecular weight of 496.52 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride is sourced from PubChem (CID 23361140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).