(3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine

C24H30N2O — CID 89091258

IUPAC(3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
SMILESC/C=C\c1c(C)cccc1O[C@@H]1c2ccccc2C[C@H]1N1CCC[C@@H](N)C1
InChIInChI=1S/C24H30N2O/c1-3-8-20-17(2)9-6-13-23(20)27-24-21-12-5-4-10-18(21)15-22(24)26-14-7-11-19(25)16-26/h3-6,8-10,12-13,19,22,24H,7,11,14-16,25H2,1-2H3/b8-3-/t19-,22-,24-/m1/s1
InChIKeyACGRWWROMLVPRK-YYAJDELWSA-N
MW362.52 g/mol
LogP4.50
Rot. Bonds4

About (3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine

(3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine (PubChem CID 89091258) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is (3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
PubChem CID89091258
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name(3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
SMILESC/C=C\c1c(C)cccc1O[C@@H]1c2ccccc2C[C@H]1N1CCC[C@@H](N)C1
InChIInChI=1S/C24H30N2O/c1-3-8-20-17(2)9-6-13-23(20)27-24-21-12-5-4-10-18(21)15-22(24)26-14-7-11-19(25)16-26/h3-6,8-10,12-13,19,22,24H,7,11,14-16,25H2,1-2H3/b8-3-/t19-,22-,24-/m1/s1
InChIKeyACGRWWROMLVPRK-YYAJDELWSA-N
XLogP4.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine (CID 89091258) is (3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine is C/C=C\c1c(C)cccc1O[C@@H]1c2ccccc2C[C@H]1N1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The InChIKey is ACGRWWROMLVPRK-YYAJDELWSA-N. The full InChI is InChI=1S/C24H30N2O/c1-3-8-20-17(2)9-6-13-23(20)27-24-21-12-5-4-10-18(21)15-22(24)26-14-7-11-19(25)16-26/h3-6,8-10,12-13,19,22,24H,7,11,14-16,25H2,1-2H3/b8-3-/t19-,22-,24-/m1/s1.
What are the key properties of (3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
(3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine has a molecular weight of 362.52 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine is sourced from PubChem (CID 89091258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).