1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride

C20H31ClN2O2 — CID 119804151

IUPAC1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
SMILESCC1CN(C(=O)CC(C)C2CCNCC2)C(c2ccccc2)CO1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15(17-8-10-21-11-9-17)12-20(23)22-13-16(2)24-14-19(22)18-6-4-3-5-7-18;/h3-7,15-17,19,21H,8-14H2,1-2H3;1H
InChIKeyKNGFMQZFEKQDJI-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride

1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride (PubChem CID 119804151) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
PubChem CID119804151
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
SMILESCC1CN(C(=O)CC(C)C2CCNCC2)C(c2ccccc2)CO1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15(17-8-10-21-11-9-17)12-20(23)22-13-16(2)24-14-19(22)18-6-4-3-5-7-18;/h3-7,15-17,19,21H,8-14H2,1-2H3;1H
InChIKeyKNGFMQZFEKQDJI-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-2-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119769865
1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119790946
1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119751371
1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119708943
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone
CID 124686301
(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone
CID 154879876
(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668
2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 111540812
[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone
CID 124694261
1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone
CID 124882003
2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 71993114

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride (CID 119804151) is 1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride is CC1CN(C(=O)CC(C)C2CCNCC2)C(c2ccccc2)CO1.Cl.
What is the InChIKey of 1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
The InChIKey is KNGFMQZFEKQDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-15(17-8-10-21-11-9-17)12-20(23)22-13-16(2)24-14-19(22)18-6-4-3-5-7-18;/h3-7,15-17,19,21H,8-14H2,1-2H3;1H.
What are the key properties of 1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride?
1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 119804151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).