1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride

C21H26ClN — CID 11957591

IUPAC1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
SMILESCl.c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C21H25N.ClH/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21;/h1-5,7-9,11H,6,10,12-17H2;1H
InChIKeyZKKYQWOBXVJKIR-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.98
Rot. Bonds2

About 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride

1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride (PubChem CID 11957591) has the molecular formula C21H26ClN and a molecular weight of 327.90 g/mol. Its IUPAC name is 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
PubChem CID11957591
Molecular FormulaC21H26ClN
Molecular Weight327.90 g/mol
Exact Mass327.18
IUPAC Name1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
SMILESCl.c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C21H25N.ClH/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21;/h1-5,7-9,11H,6,10,12-17H2;1H
InChIKeyZKKYQWOBXVJKIR-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The IUPAC name of 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride (CID 11957591) is 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride is Cl.c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1.
What is the InChIKey of 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
The InChIKey is ZKKYQWOBXVJKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N.ClH/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21;/h1-5,7-9,11H,6,10,12-17H2;1H.
What are the key properties of 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride?
1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride is sourced from PubChem (CID 11957591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).