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

C19H29ClN2O2 — CID 119703775

IUPAC1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCOC(c2ccccc2)C1)C1CCCNC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15(17-8-5-9-20-13-17)12-19(22)21-10-11-23-18(14-21)16-6-3-2-4-7-16;/h2-4,6-7,15,17-18,20H,5,8-14H2,1H3;1H
InChIKeyMBMYTRMHPNOKIN-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.03
Rot. Bonds4

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

1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride (PubChem CID 119703775) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
PubChem CID119703775
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCOC(c2ccccc2)C1)C1CCCNC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15(17-8-5-9-20-13-17)12-19(22)21-10-11-23-18(14-21)16-6-3-2-4-7-16;/h2-4,6-7,15,17-18,20H,5,8-14H2,1H3;1H
InChIKeyMBMYTRMHPNOKIN-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119698721
1-(2-phenylmorpholin-4-yl)-2-piperidin-3-ylethanone
CID 62676153
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671893
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119671894
3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119880994
3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one
CID 119757325
1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one
CID 119881066
3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one
CID 119760181
2-(cyclopentylamino)-1-(2-phenylmorpholin-4-yl)ethanone
CID 60963934
1-(4-benzyl-1,4-diazepan-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119399409
1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119754539
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride (CID 119703775) is 1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride is CC(CC(=O)N1CCOC(c2ccccc2)C1)C1CCCNC1.Cl.
What is the InChIKey of 1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride?
The InChIKey is MBMYTRMHPNOKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-15(17-8-5-9-20-13-17)12-19(22)21-10-11-23-18(14-21)16-6-3-2-4-7-16;/h2-4,6-7,15,17-18,20H,5,8-14H2,1H3;1H.
What are the key properties of 1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride?
1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 119703775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).