3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride

C19H31Cl2N3O2 — CID 120612661

IUPAC3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCC1CN(C2CCN(C(=O)CCc3ccccc3N)CC2)CCO1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-15-14-22(12-13-24-15)17-8-10-21(11-9-17)19(23)7-6-16-4-2-3-5-18(16)20;;/h2-5,15,17H,6-14,20H2,1H3;2*1H
InChIKeyISQRPYCRVPVVIW-UHFFFAOYSA-N
MW404.38 g/mol
LogP2.76
Rot. Bonds4

About 3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride

3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 120612661) has the molecular formula C19H31Cl2N3O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
PubChem CID120612661
Molecular FormulaC19H31Cl2N3O2
Molecular Weight404.38 g/mol
Exact Mass403.18
IUPAC Name3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCC1CN(C2CCN(C(=O)CCc3ccccc3N)CC2)CCO1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-15-14-22(12-13-24-15)17-8-10-21(11-9-17)19(23)7-6-16-4-2-3-5-18(16)20;;/h2-5,15,17H,6-14,20H2,1H3;2*1H
InChIKeyISQRPYCRVPVVIW-UHFFFAOYSA-N
XLogP2.76
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62969229
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 60558230
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
3-(2-aminophenyl)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612910
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
CID 120610994
3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120610223
3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one
CID 120610694
3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120608110
3-(2-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369332
3-(2-aminophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride (CID 120612661) is 3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride is CC1CN(C2CCN(C(=O)CCc3ccccc3N)CC2)CCO1.Cl.Cl.
What is the InChIKey of 3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is ISQRPYCRVPVVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.2ClH/c1-15-14-22(12-13-24-15)17-8-10-21(11-9-17)19(23)7-6-16-4-2-3-5-18(16)20;;/h2-5,15,17H,6-14,20H2,1H3;2*1H.
What are the key properties of 3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 404.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 120612661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).