(1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C25H32N2 — CID 145339119

IUPAC(1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESc1ccc(CCN2CCC(CN[C@@H]3CC34CCc3ccccc34)CC2)cc1
InChIInChI=1S/C25H32N2/c1-2-6-20(7-3-1)11-15-27-16-12-21(13-17-27)19-26-24-18-25(24)14-10-22-8-4-5-9-23(22)25/h1-9,21,24,26H,10-19H2/t24-,25?/m1/s1
InChIKeyJTBFSKOEDCUHGX-IKOFQBKESA-N
MW360.55 g/mol
LogP4.19
Rot. Bonds6

About (1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

(1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 145339119) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is (1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name(1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID145339119
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC Name(1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESc1ccc(CCN2CCC(CN[C@@H]3CC34CCc3ccccc34)CC2)cc1
InChIInChI=1S/C25H32N2/c1-2-6-20(7-3-1)11-15-27-16-12-21(13-17-27)19-26-24-18-25(24)14-10-22-8-4-5-9-23(22)25/h1-9,21,24,26H,10-19H2/t24-,25?/m1/s1
InChIKeyJTBFSKOEDCUHGX-IKOFQBKESA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine with MolForge

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Related Compounds

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,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride
CID 129285061
tert-butyl 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidine-1-carboxylate
CID 129285392
(2R,3S)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6-triazaspiro[2.5]octa-4,7-dien-2-amine
CID 129285130
1,4-bis(2-phenylethyl)piperidine
CID 86059939
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-(piperidin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 122463442
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol
CID 95130314

Frequently Asked Questions

What is the IUPAC name of (1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of (1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 145339119) is (1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for (1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for (1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is c1ccc(CCN2CCC(CN[C@@H]3CC34CCc3ccccc34)CC2)cc1.
What is the InChIKey of (1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is JTBFSKOEDCUHGX-IKOFQBKESA-N. The full InChI is InChI=1S/C25H32N2/c1-2-6-20(7-3-1)11-15-27-16-12-21(13-17-27)19-26-24-18-25(24)14-10-22-8-4-5-9-23(22)25/h1-9,21,24,26H,10-19H2/t24-,25?/m1/s1.
What are the key properties of (1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
(1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 360.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 145339119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).