2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone

C15H20ClNO2 — CID 63972711

IUPAC2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESCOCC1CCN(C(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C15H20ClNO2/c1-19-11-12-7-9-17(10-8-12)15(18)14(16)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyWKBXFYJARHIVRD-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone

2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 63972711) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID63972711
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESCOCC1CCN(C(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C15H20ClNO2/c1-19-11-12-7-9-17(10-8-12)15(18)14(16)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyWKBXFYJARHIVRD-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 64569488
2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone
CID 54876088
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 43133201
methyl 1-(2-chloro-2-phenylacetyl)piperidine-4-carboxylate
CID 43245512
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone
CID 43585921
2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 63972715
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
2-benzyl-3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 63979587
(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 42245855
phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252
1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 121091399

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone (CID 63972711) is 2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone is COCC1CCN(C(=O)C(Cl)c2ccccc2)CC1.
What is the InChIKey of 2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is WKBXFYJARHIVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-19-11-12-7-9-17(10-8-12)15(18)14(16)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3.
What are the key properties of 2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 281.78 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 63972711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).