2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

C18H25ClN2O2 — CID 136524926

IUPAC2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C18H25ClN2O2/c19-17-7-2-1-5-15(17)13-18(22)21-8-4-3-6-16(21)14-20-9-11-23-12-10-20/h1-2,5,7,16H,3-4,6,8-14H2
InChIKeyIBGNQHHBNZPWBI-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 136524926) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
PubChem CID136524926
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C18H25ClN2O2/c19-17-7-2-1-5-15(17)13-18(22)21-8-4-3-6-16(21)14-20-9-11-23-12-10-20/h1-2,5,7,16H,3-4,6,8-14H2
InChIKeyIBGNQHHBNZPWBI-UHFFFAOYSA-N
XLogP2.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80678246
2-(4-methylsulfanylphenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 70755072
2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
CID 95383453
1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 14810975
2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 11315337
2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 97143198
2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 558418
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70768311
3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 97153501
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (CID 136524926) is 2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCCCC1CN1CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is IBGNQHHBNZPWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-17-7-2-1-5-15(17)13-18(22)21-8-4-3-6-16(21)14-20-9-11-23-12-10-20/h1-2,5,7,16H,3-4,6,8-14H2.
What are the key properties of 2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 336.86 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 136524926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).