1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride

C20H30ClN — CID 54582815

IUPAC1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)CCC21CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H29N.ClH/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20;/h4-5,8-9,17H,1-3,6-7,10-16H2;1H
InChIKeyURMPWQJMIKXFKQ-UHFFFAOYSA-N
MW319.92 g/mol
LogP4.97
Rot. Bonds2

About 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride

1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (PubChem CID 54582815) has the molecular formula C20H30ClN and a molecular weight of 319.92 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
PubChem CID54582815
Molecular FormulaC20H30ClN
Molecular Weight319.92 g/mol
Exact Mass319.21
IUPAC Name1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCl.c1ccc2c(c1)CCC21CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H29N.ClH/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20;/h4-5,8-9,17H,1-3,6-7,10-16H2;1H
InChIKeyURMPWQJMIKXFKQ-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.92
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The IUPAC name of 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (CID 54582815) is 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is Cl.c1ccc2c(c1)CCC21CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The InChIKey is URMPWQJMIKXFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N.ClH/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20;/h4-5,8-9,17H,1-3,6-7,10-16H2;1H.
What are the key properties of 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride has a molecular weight of 319.92 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is sourced from PubChem (CID 54582815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).