N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C17H24N2 — CID 122463439

IUPACN-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESc1ccc2c(c1)CCC21CC1NCC1CCNCC1
InChIInChI=1S/C17H24N2/c1-2-4-15-14(3-1)5-8-17(15)11-16(17)19-12-13-6-9-18-10-7-13/h1-4,13,16,18-19H,5-12H2
InChIKeyWYLXLTAKPXJTKE-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.23
Rot. Bonds3

About N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 122463439) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID122463439
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESc1ccc2c(c1)CCC21CC1NCC1CCNCC1
InChIInChI=1S/C17H24N2/c1-2-4-15-14(3-1)5-8-17(15)11-16(17)19-12-13-6-9-18-10-7-13/h1-4,13,16,18-19H,5-12H2
InChIKeyWYLXLTAKPXJTKE-UHFFFAOYSA-N
XLogP2.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 122463439) is N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is c1ccc2c(c1)CCC21CC1NCC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is WYLXLTAKPXJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-4-15-14(3-1)5-8-17(15)11-16(17)19-12-13-6-9-18-10-7-13/h1-4,13,16,18-19H,5-12H2.
What are the key properties of N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 256.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 122463439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).