1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone

C14H18ClNO3 — CID 116571152

IUPAC1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
SMILESCOc1cc(C(=O)COC2CCNCC2)ccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-18-14-8-10(2-3-12(14)15)13(17)9-19-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyANGJBGGVOQDFPF-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone

1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone (PubChem CID 116571152) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
PubChem CID116571152
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
SMILESCOc1cc(C(=O)COC2CCNCC2)ccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-18-14-8-10(2-3-12(14)15)13(17)9-19-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyANGJBGGVOQDFPF-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one
CID 116572273
1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116560958
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] piperidine-4-carboxylate
CID 174964194
2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone
CID 43799312
1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone
CID 116570961
1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562355
2-piperidin-4-yloxy-1-quinolin-7-ylethanone
CID 116571031
1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone
CID 114520610
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-4-yloxyethanone
CID 116571072
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
2-piperidin-4-yloxy-1-pyridin-2-ylethanone
CID 71645202
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone
CID 105113829

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone (CID 116571152) is 1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone is COc1cc(C(=O)COC2CCNCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone?
The InChIKey is ANGJBGGVOQDFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-18-14-8-10(2-3-12(14)15)13(17)9-19-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone?
1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone has a molecular weight of 283.75 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 116571152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).