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

C17H23ClN2 — CID 122463497

IUPAC6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESClc1ccc2c(c1)CCC21CC1NCC1CCNCC1
InChIInChI=1S/C17H23ClN2/c18-14-1-2-15-13(9-14)3-6-17(15)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
InChIKeyMIUQUYBICAZYNK-UHFFFAOYSA-N
MW290.84 g/mol
LogP2.89
Rot. Bonds3

About 6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 122463497) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID122463497
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESClc1ccc2c(c1)CCC21CC1NCC1CCNCC1
InChIInChI=1S/C17H23ClN2/c18-14-1-2-15-13(9-14)3-6-17(15)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
InChIKeyMIUQUYBICAZYNK-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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Related Compounds

(1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129294099
(1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride
CID 129285061
6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 138494177
tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate
CID 122463522
6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 115867658
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 79018794
4-[(3-chlorophenoxy)methyl]piperidine
CID 26191052
4-[(7-chloro-1,5-dihydro-2,4-benzodioxepin-3-yl)methyl]piperidine
CID 115062623
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348749
tert-butyl 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidine-1-carboxylate
CID 129285392
2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride
CID 171620485
2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057332

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of 6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 122463497) is 6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for 6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for 6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is Clc1ccc2c(c1)CCC21CC1NCC1CCNCC1.
What is the InChIKey of 6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is MIUQUYBICAZYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c18-14-1-2-15-13(9-14)3-6-17(15)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 6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
6-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 6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 122463497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).