2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone

C10H18ClNO2 — CID 121201391

IUPAC2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC1CCN(C(=O)CCl)CC1
InChIInChI=1S/C10H18ClNO2/c1-2-14-8-9-3-5-12(6-4-9)10(13)7-11/h9H,2-8H2,1H3
InChIKeyDWCNYLPHNMAPJI-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.50
Rot. Bonds4

About 2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone

2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone (PubChem CID 121201391) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
PubChem CID121201391
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC1CCN(C(=O)CCl)CC1
InChIInChI=1S/C10H18ClNO2/c1-2-14-8-9-3-5-12(6-4-9)10(13)7-11/h9H,2-8H2,1H3
InChIKeyDWCNYLPHNMAPJI-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.50
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

1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 121201395
1-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131909918
1-[4-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63397851
3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
CID 165496688
(3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 99854008
methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate
CID 28748566
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone
CID 97316657
2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 71918620
2-chloro-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103881627
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone (CID 121201391) is 2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone is CCOCC1CCN(C(=O)CCl)CC1.
What is the InChIKey of 2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is DWCNYLPHNMAPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-2-14-8-9-3-5-12(6-4-9)10(13)7-11/h9H,2-8H2,1H3.
What are the key properties of 2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone?
2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 219.71 g/mol, XLogP of 1.50, 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-(ethoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121201391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).