1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one

C13H21NO2 — CID 102648321

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one
SMILESO=C(CCC1CCCNC1)C1=CCCCO1
InChIInChI=1S/C13H21NO2/c15-12(13-5-1-2-9-16-13)7-6-11-4-3-8-14-10-11/h5,11,14H,1-4,6-10H2
InChIKeyNMYPXZGOYWOBGJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.03
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one

1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one (PubChem CID 102648321) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one
PubChem CID102648321
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one
SMILESO=C(CCC1CCCNC1)C1=CCCCO1
InChIInChI=1S/C13H21NO2/c15-12(13-5-1-2-9-16-13)7-6-11-4-3-8-14-10-11/h5,11,14H,1-4,6-10H2
InChIKeyNMYPXZGOYWOBGJ-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-ylmethyl)piperidine
CID 17793541
3,4-dihydro-2H-pyran-6-yl(piperidin-3-yl)methanone
CID 102648268
1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-4-ylethanone
CID 102648312
1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-4-ylpropan-1-one
CID 102648325
1-(3,4-dihydro-2H-pyran-6-yl)-2-piperidin-3-ylethanone
CID 102648328
3,4-dihydro-2H-pyran-6-yl-(3-ethylpiperidin-3-yl)methanone
CID 102648344
3,4-dihydro-2H-pyran-6-yl-(3-methylpiperidin-3-yl)methanone
CID 102648347
3,4-dihydro-2H-pyran-6-yl-(3-propylpiperidin-3-yl)methanone
CID 102648348
6-azaspiro[2.5]octan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648360
6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-ethylhexan-1-one
CID 102648378
6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one
CID 102648389
4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-one
CID 102648394

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one (CID 102648321) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one is O=C(CCC1CCCNC1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one?
The InChIKey is NMYPXZGOYWOBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-12(13-5-1-2-9-16-13)7-6-11-4-3-8-14-10-11/h5,11,14H,1-4,6-10H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one has a molecular weight of 223.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 102648321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).