[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride

C18H27ClN2O2 — CID 20994934

IUPAC[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C18H26N2O2.ClH/c21-18(16-6-2-1-3-7-16)20-10-5-4-8-17(20)9-11-19-12-14-22-15-13-19;/h1-3,6-7,17H,4-5,8-15H2;1H
InChIKeyHCNHZVMLTPUGJE-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.83
Rot. Bonds4

About [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride

[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride (PubChem CID 20994934) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
PubChem CID20994934
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C18H26N2O2.ClH/c21-18(16-6-2-1-3-7-16)20-10-5-4-8-17(20)9-11-19-12-14-22-15-13-19;/h1-3,6-7,17H,4-5,8-15H2;1H
InChIKeyHCNHZVMLTPUGJE-UHFFFAOYSA-N
XLogP2.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95111790
1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111788
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 96580443
(2-ethylpyrimidin-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97121729
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 118787843
[3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 126452571
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839

Frequently Asked Questions

What is the IUPAC name of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride?
The IUPAC name of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride (CID 20994934) is [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride?
The canonical SMILES for [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride is Cl.O=C(c1ccccc1)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride?
The InChIKey is HCNHZVMLTPUGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c21-18(16-6-2-1-3-7-16)20-10-5-4-8-17(20)9-11-19-12-14-22-15-13-19;/h1-3,6-7,17H,4-5,8-15H2;1H.
What are the key properties of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride?
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 20994934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).