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

C17H26Cl2N2 — CID 129285061

IUPAC(1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CC[C@@]21C[C@H]1NCC1CCNCC1
InChIInChI=1S/C17H24N2.2ClH/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;2*1H/t16-,17-;;/m1../s1
InChIKeyMQOYFOLPOOOPOK-QAPNYFPESA-N
MW329.32 g/mol
LogP3.08
Rot. Bonds3

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

(1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride (PubChem CID 129285061) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.32 g/mol. Its IUPAC name is (1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride.

Molecular Properties

Compound Name(1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride
PubChem CID129285061
Molecular FormulaC17H26Cl2N2
Molecular Weight329.32 g/mol
Exact Mass328.15
IUPAC Name(1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CC[C@@]21C[C@H]1NCC1CCNCC1
InChIInChI=1S/C17H24N2.2ClH/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;2*1H/t16-,17-;;/m1../s1
InChIKeyMQOYFOLPOOOPOK-QAPNYFPESA-N
XLogP3.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride with MolForge

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Related Compounds

(1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129294099
6-chloro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 122463497
phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride
CID 129284793
(1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 145339119
N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 122463442
tert-butyl 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidine-1-carboxylate
CID 129285392
6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 138494177
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclopropanamine
CID 62712616
(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 129294066
N'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylbutane-1,4-diamine
CID 122442982
spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrochloride
CID 71756685
(1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129285469

Frequently Asked Questions

What is the IUPAC name of (1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride?
The IUPAC name of (1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride (CID 129285061) is (1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride.
What is the SMILES notation for (1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride?
The canonical SMILES for (1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride is Cl.Cl.c1ccc2c(c1)CC[C@@]21C[C@H]1NCC1CCNCC1.
What is the InChIKey of (1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride?
The InChIKey is MQOYFOLPOOOPOK-QAPNYFPESA-N. The full InChI is InChI=1S/C17H24N2.2ClH/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;2*1H/t16-,17-;;/m1../s1.
What are the key properties of (1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride?
(1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride has a molecular weight of 329.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride is sourced from PubChem (CID 129285061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).