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

C17H23ClN2 — CID 122463441

IUPAC5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESClc1ccc2c(c1)C1(CC2)CC1NCC1CCNCC1
InChIInChI=1S/C17H23ClN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
InChIKeyBSOQEXBHUHGEGR-UHFFFAOYSA-N
MW290.84 g/mol
LogP2.89
Rot. Bonds3

About 5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 122463441) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID122463441
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESClc1ccc2c(c1)C1(CC2)CC1NCC1CCNCC1
InChIInChI=1S/C17H23ClN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
InChIKeyBSOQEXBHUHGEGR-UHFFFAOYSA-N
XLogP2.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of 5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 122463441) is 5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for 5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for 5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is Clc1ccc2c(c1)C1(CC2)CC1NCC1CCNCC1.
What is the InChIKey of 5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is BSOQEXBHUHGEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2.
What are the key properties of 5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 290.84 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 122463441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).