(3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol

C16H24N2O2 — CID 146046794

IUPAC(3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol
SMILESCOc1cc2c(cc1CN1C[C@@H](N)C[C@@H](O)C1)CCC2
InChIInChI=1S/C16H24N2O2/c1-20-16-6-12-4-2-3-11(12)5-13(16)8-18-9-14(17)7-15(19)10-18/h5-6,14-15,19H,2-4,7-10,17H2,1H3/t14-,15+/m0/s1
InChIKeyWKFICAQIBFNWQL-LSDHHAIUSA-N
MW276.38 g/mol
LogP1.08
Rot. Bonds3

About (3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol

(3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol (PubChem CID 146046794) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol
PubChem CID146046794
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol
SMILESCOc1cc2c(cc1CN1C[C@@H](N)C[C@@H](O)C1)CCC2
InChIInChI=1S/C16H24N2O2/c1-20-16-6-12-4-2-3-11(12)5-13(16)8-18-9-14(17)7-15(19)10-18/h5-6,14-15,19H,2-4,7-10,17H2,1H3/t14-,15+/m0/s1
InChIKeyWKFICAQIBFNWQL-LSDHHAIUSA-N
XLogP1.08
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol with MolForge

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Related Compounds

1-[(3R,4R)-4-hydroxy-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134706006
1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
CID 63282227
1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone
CID 155498928
(3aR,5R,6R,7aS)-2-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-(pyrazin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172671617
(2R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-2-phenylpiperazine
CID 100597337
[(4aS,8aS)-7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135088685
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72874241
[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97125314
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672717
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83957040

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol (CID 146046794) is (3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol is COc1cc2c(cc1CN1C[C@@H](N)C[C@@H](O)C1)CCC2.
What is the InChIKey of (3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol?
The InChIKey is WKFICAQIBFNWQL-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-16-6-12-4-2-3-11(12)5-13(16)8-18-9-14(17)7-15(19)10-18/h5-6,14-15,19H,2-4,7-10,17H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol?
(3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol has a molecular weight of 276.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-amino-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 146046794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).