(1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C22H35N3O — CID 30853383

IUPAC(1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(CCN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)C1CCCC1
InChIInChI=1S/C22H35N3O/c1-24(17-7-3-4-8-17)15-16-25(2)20-18-9-5-6-10-19(18)22(21(20)26)11-13-23-14-12-22/h5-6,9-10,17,20-21,23,26H,3-4,7-8,11-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyHAXHXOOOCZSCFB-RTWAWAEBSA-N
MW357.54 g/mol
LogP2.53
Rot. Bonds5

About (1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 30853383) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is (1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID30853383
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name(1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(CCN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)C1CCCC1
InChIInChI=1S/C22H35N3O/c1-24(17-7-3-4-8-17)15-16-25(2)20-18-9-5-6-10-19(18)22(21(20)26)11-13-23-14-12-22/h5-6,9-10,17,20-21,23,26H,3-4,7-8,11-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyHAXHXOOOCZSCFB-RTWAWAEBSA-N
XLogP2.53
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol with MolForge

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Related Compounds

(2R*,3R*)-1'-(3-methyl-2-buten-1-yl)-3-(4-thiomorpholinyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 28953968
1-(2-hydroxypropylamino)-2,3-dihydro-1H-inden-2-ol
CID 244373
(1R,2R)-1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 28311378
rel-(2R,3R)-3-{methyl[3-(4-morpholinyl)propyl]amino}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 28410665
rel-(2R,3R)-3-[(2-methoxyethyl)(methyl)amino]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 28957610
(1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 29001303
rel-(2R,3R)-3-[4-(3-methoxypropyl)-1-piperazinyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 29028423
rel-(2R,3R)-3-{methyl[3-(1-pyrrolidinyl)propyl]amino}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 29256289
rel-(2R,3R)-3-[4-(3-methoxypropyl)-1-piperidinyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 30897264
(2R*,3R*)-3-{methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 31075150
(1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31134750
rel-(2R,3R)-3-[(3-methoxypropyl)(methyl)amino]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 31161860

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 30853383) is (1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CN(CCN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)C1CCCC1.
What is the InChIKey of (1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is HAXHXOOOCZSCFB-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H35N3O/c1-24(17-7-3-4-8-17)15-16-25(2)20-18-9-5-6-10-19(18)22(21(20)26)11-13-23-14-12-22/h5-6,9-10,17,20-21,23,26H,3-4,7-8,11-16H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of (1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 357.54 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 30853383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).