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

C20H29N — CID 15163160

IUPAC1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESc1ccc2c(c1)CCC21CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H29N/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
InChIKeyXWGDOCSDEQCYHX-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.55
Rot. Bonds2

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

1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 15163160) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID15163160
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESc1ccc2c(c1)CCC21CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H29N/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
InChIKeyXWGDOCSDEQCYHX-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyproheptadine
CID 2913
Cyproheptadine Hydrochloride
CID 13770
Phenindamine
CID 11291
Fenpropidin
CID 91694
Budipine
CID 68778
Fenpiprane
CID 197785
Prodipine
CID 65775
4-Phenyl-1-(4-phenylbutyl)piperidine
CID 3035672
Indriline Hydrochloride
CID 66262
2-(1-benzyl-1H-inden-3-yl)-N,N-dimethylethanamine
CID 11818252
3,3-Dimethyl-1-[4-(1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperidine
CID 10590294
1-[3-(3H-Inden-1-yl)-propyl]-3,3-dimethyl-piperidine
CID 10686061

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (CID 15163160) is 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is c1ccc2c(c1)CCC21CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is XWGDOCSDEQCYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/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.
What are the key properties of 1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
1'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 283.46 g/mol, XLogP of 4.55, 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] is sourced from PubChem (CID 15163160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).