1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one

C14H17Cl2NO2 — CID 114281145

IUPAC1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-10-1-2-12(13(16)9-10)14(18)5-8-19-11-3-6-17-7-4-11/h1-2,9,11,17H,3-8H2
InChIKeyJSCSKCHGVRVHSQ-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.33
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one

1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 114281145) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one
PubChem CID114281145
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-10-1-2-12(13(16)9-10)14(18)5-8-19-11-3-6-17-7-4-11/h1-2,9,11,17H,3-8H2
InChIKeyJSCSKCHGVRVHSQ-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 103052354
1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one
CID 106763987
3-piperidin-4-yloxy-N-(2,4,6-trichlorophenyl)propanamide
CID 63875787
1-phenyl-3-piperidin-4-yloxypropan-1-one
CID 116572261
1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone
CID 116570961
N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide
CID 63905458
N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide
CID 63876656
5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide
CID 63870017
N-(2-chlorophenyl)-3-piperidin-4-yloxypropanamide
CID 63877513
1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one
CID 116572273
N-(2,6-dichloro-4-fluorophenyl)-3-piperidin-4-yloxypropanamide
CID 83077626
2-chloro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63871254

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one (CID 114281145) is 1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one is O=C(CCOC1CCNCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is JSCSKCHGVRVHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-10-1-2-12(13(16)9-10)14(18)5-8-19-11-3-6-17-7-4-11/h1-2,9,11,17H,3-8H2.
What are the key properties of 1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one?
1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 302.20 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 114281145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).