4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one

C11H20ClNO — CID 3613562

IUPAC4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one
SMILESCCC1CCCCN1C(=O)CCCCl
InChIInChI=1S/C11H20ClNO/c1-2-10-6-3-4-9-13(10)11(14)7-5-8-12/h10H,2-9H2,1H3
InChIKeyWTIUCVOVPDWODA-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.80
Rot. Bonds4

About 4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one

4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one (PubChem CID 3613562) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one
PubChem CID3613562
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one
SMILESCCC1CCCCN1C(=O)CCCCl
InChIInChI=1S/C11H20ClNO/c1-2-10-6-3-4-9-13(10)11(14)7-5-8-12/h10H,2-9H2,1H3
InChIKeyWTIUCVOVPDWODA-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 7628883
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
4-chloro-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 107216553
1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
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CID 63083979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one (CID 3613562) is 4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one is CCC1CCCCN1C(=O)CCCCl.
What is the InChIKey of 4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one?
The InChIKey is WTIUCVOVPDWODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-2-10-6-3-4-9-13(10)11(14)7-5-8-12/h10H,2-9H2,1H3.
What are the key properties of 4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one?
4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one has a molecular weight of 217.74 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 3613562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).