(3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine

C20H22Cl2N2O — CID 58393865

IUPAC(3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@@H]2Cc3c(Cl)cc(Cl)cc3[C@H]2Oc2ccccc2)C1
InChIInChI=1S/C20H22Cl2N2O/c21-13-9-17-16(18(22)10-13)11-19(24-8-4-5-14(23)12-24)20(17)25-15-6-2-1-3-7-15/h1-3,6-7,9-10,14,19-20H,4-5,8,11-12,23H2/t14-,19-,20-/m1/s1
InChIKeyPEDPVHYNSCOTLR-JSNMRZPZSA-N
MW377.32 g/mol
LogP4.46
Rot. Bonds3

About (3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine

(3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine (PubChem CID 58393865) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is (3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
PubChem CID58393865
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name(3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@@H]2Cc3c(Cl)cc(Cl)cc3[C@H]2Oc2ccccc2)C1
InChIInChI=1S/C20H22Cl2N2O/c21-13-9-17-16(18(22)10-13)11-19(24-8-4-5-14(23)12-24)20(17)25-15-6-2-1-3-7-15/h1-3,6-7,9-10,14,19-20H,4-5,8,11-12,23H2/t14-,19-,20-/m1/s1
InChIKeyPEDPVHYNSCOTLR-JSNMRZPZSA-N
XLogP4.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine with MolForge

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Related Compounds

1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine
CID 90369189
(3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 141341706
(3R)-1-[(1S,2S)-6-chloro-4-fluoro-1-(3-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 172824458
(3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 152500590
1-[2-[2-[2-[[4-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[4-[[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea
CID 166967906
3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
CID 76775087
1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one
CID 67309877
(3R)-1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 58393493
1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67337392
1-[4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]-3-methylsulfonylpyrrolidine
CID 76775046
2-[[(3R)-1-[(1R,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-yl]amino]acetonitrile
CID 87350882
4-[[(1R,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzonitrile
CID 167993650

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine (CID 58393865) is (3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine is N[C@@H]1CCCN([C@@H]2Cc3c(Cl)cc(Cl)cc3[C@H]2Oc2ccccc2)C1.
What is the InChIKey of (3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The InChIKey is PEDPVHYNSCOTLR-JSNMRZPZSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c21-13-9-17-16(18(22)10-13)11-19(24-8-4-5-14(23)12-24)20(17)25-15-6-2-1-3-7-15/h1-3,6-7,9-10,14,19-20H,4-5,8,11-12,23H2/t14-,19-,20-/m1/s1.
What are the key properties of (3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
(3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine has a molecular weight of 377.32 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine is sourced from PubChem (CID 58393865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).