(1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate

C18H25NO2 — CID 170530209

IUPAC(1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate
SMILESCC(C)C1(OC(=O)N2CCCCC2)CCc2ccccc21
InChIInChI=1S/C18H25NO2/c1-14(2)18(11-10-15-8-4-5-9-16(15)18)21-17(20)19-12-6-3-7-13-19/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyXSUQQUHEFDDODC-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.11
Rot. Bonds2

About (1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate

(1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate (PubChem CID 170530209) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate
PubChem CID170530209
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate
SMILESCC(C)C1(OC(=O)N2CCCCC2)CCc2ccccc21
InChIInChI=1S/C18H25NO2/c1-14(2)18(11-10-15-8-4-5-9-16(15)18)21-17(20)19-12-6-3-7-13-19/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyXSUQQUHEFDDODC-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate
CID 90246880
azepan-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 116656264
(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one
CID 129466127
1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 72863540
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate
CID 97411107
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114991852
3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
CID 118272075
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
methyl 2'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylate
CID 79298955
spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 127437163

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate?
The IUPAC name of (1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate (CID 170530209) is (1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate.
What is the SMILES notation for (1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate?
The canonical SMILES for (1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate is CC(C)C1(OC(=O)N2CCCCC2)CCc2ccccc21.
What is the InChIKey of (1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate?
The InChIKey is XSUQQUHEFDDODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)18(11-10-15-8-4-5-9-16(15)18)21-17(20)19-12-6-3-7-13-19/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3.
What are the key properties of (1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate?
(1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate is sourced from PubChem (CID 170530209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).