(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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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).