(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone

C17H23NO2 — CID 110921317

IUPAC(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
SMILESCC1(C(=O)N2CCC(O)CC2)CCCc2ccccc21
InChIInChI=1S/C17H23NO2/c1-17(16(20)18-11-8-14(19)9-12-18)10-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,14,19H,4,6,8-12H2,1H3
InChIKeyVVITXPDMNHYMEN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.26
Rot. Bonds1

About (4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone

(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone (PubChem CID 110921317) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
PubChem CID110921317
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
SMILESCC1(C(=O)N2CCC(O)CC2)CCCc2ccccc21
InChIInChI=1S/C17H23NO2/c1-17(16(20)18-11-8-14(19)9-12-18)10-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,14,19H,4,6,8-12H2,1H3
InChIKeyVVITXPDMNHYMEN-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone (CID 110921317) is (4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone is CC1(C(=O)N2CCC(O)CC2)CCCc2ccccc21.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone?
The InChIKey is VVITXPDMNHYMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(16(20)18-11-8-14(19)9-12-18)10-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,14,19H,4,6,8-12H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone?
(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone is sourced from PubChem (CID 110921317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).