spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride

C13H17ClN2 — CID 68631969

IUPACspiro[1H-isoquinoline-4,4'-piperidine];hydrochloride
SMILESC1=NCc2ccccc2C12CCNCC2.Cl
InChIInChI=1S/C13H16N2.ClH/c1-2-4-12-11(3-1)9-15-10-13(12)5-7-14-8-6-13;/h1-4,10,14H,5-9H2;1H
InChIKeyKMPPBPZEQRHGFT-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.31
Rot. Bonds

About spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride

spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride (PubChem CID 68631969) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride.

Molecular Properties

Compound Namespiro[1H-isoquinoline-4,4'-piperidine];hydrochloride
PubChem CID68631969
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Namespiro[1H-isoquinoline-4,4'-piperidine];hydrochloride
SMILESC1=NCc2ccccc2C12CCNCC2.Cl
InChIInChI=1S/C13H16N2.ClH/c1-2-4-12-11(3-1)9-15-10-13(12)5-7-14-8-6-13;/h1-4,10,14H,5-9H2;1H
InChIKeyKMPPBPZEQRHGFT-UHFFFAOYSA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride?
The IUPAC name of spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride (CID 68631969) is spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride.
What is the SMILES notation for spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride?
The canonical SMILES for spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride is C1=NCc2ccccc2C12CCNCC2.Cl.
What is the InChIKey of spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride?
The InChIKey is KMPPBPZEQRHGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.ClH/c1-2-4-12-11(3-1)9-15-10-13(12)5-7-14-8-6-13;/h1-4,10,14H,5-9H2;1H.
What are the key properties of spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride?
spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride has a molecular weight of 236.75 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride is sourced from PubChem (CID 68631969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).