(2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride

C18H27ClN2O2 — CID 171362081

IUPAC(2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCOC(C)C2)cccc1C1CCNCC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-12-20(10-11-22-13)18(21)17-5-3-4-16(14(17)2)15-6-8-19-9-7-15;/h3-5,13,15,19H,6-12H2,1-2H3;1H
InChIKeyWAIZLOCZDNFFBX-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.74
Rot. Bonds2

About (2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride

(2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride (PubChem CID 171362081) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is (2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
PubChem CID171362081
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name(2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCOC(C)C2)cccc1C1CCNCC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-12-20(10-11-22-13)18(21)17-5-3-4-16(14(17)2)15-6-8-19-9-7-15;/h3-5,13,15,19H,6-12H2,1-2H3;1H
InChIKeyWAIZLOCZDNFFBX-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171362080
(2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 166001112
(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 171361801
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone
CID 171361802
(2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 166001125
N,N,2-trimethyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171362069
N-ethyl-2-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171362043
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701

Frequently Asked Questions

What is the IUPAC name of (2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride?
The IUPAC name of (2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride (CID 171362081) is (2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for (2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride?
The canonical SMILES for (2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride is Cc1c(C(=O)N2CCOC(C)C2)cccc1C1CCNCC1.Cl.
What is the InChIKey of (2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride?
The InChIKey is WAIZLOCZDNFFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-13-12-20(10-11-22-13)18(21)17-5-3-4-16(14(17)2)15-6-8-19-9-7-15;/h3-5,13,15,19H,6-12H2,1-2H3;1H.
What are the key properties of (2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride?
(2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylmorpholin-4-yl)-(2-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride is sourced from PubChem (CID 171362081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).