1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C22H33ClN2O3 — CID 67931387

IUPAC1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1cccc2ccccc12.CN1CCCCC1=O.Cl
InChIInChI=1S/C16H21NO2.C6H11NO.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-7-5-3-2-4-6(7)8;/h3-9,12,14,17-18H,10-11H2,1-2H3;2-5H2,1H3;1H
InChIKeyLTIWUIWHIZHRJC-UHFFFAOYSA-N
MW408.97 g/mol
LogP3.63
Rot. Bonds6

About 1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 67931387) has the molecular formula C22H33ClN2O3 and a molecular weight of 408.97 g/mol. Its IUPAC name is 1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID67931387
Molecular FormulaC22H33ClN2O3
Molecular Weight408.97 g/mol
Exact Mass408.22
IUPAC Name1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1cccc2ccccc12.CN1CCCCC1=O.Cl
InChIInChI=1S/C16H21NO2.C6H11NO.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-7-5-3-2-4-6(7)8;/h3-9,12,14,17-18H,10-11H2,1-2H3;2-5H2,1H3;1H
InChIKeyLTIWUIWHIZHRJC-UHFFFAOYSA-N
XLogP3.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.97
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172990289
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;octadecanoic acid
CID 70496276
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138958899
4-(2-aminoethyl)benzene-1,2-diol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 67675479

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 67931387) is 1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)COc1cccc2ccccc12.CN1CCCCC1=O.Cl.
What is the InChIKey of 1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is LTIWUIWHIZHRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.C6H11NO.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-7-5-3-2-4-6(7)8;/h3-9,12,14,17-18H,10-11H2,1-2H3;2-5H2,1H3;1H.
What are the key properties of 1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 408.97 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 67931387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).