1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone

C13H16ClNO2 — CID 116570961

IUPAC1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone
SMILESO=C(COC1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c14-12-4-2-1-3-11(12)13(16)9-17-10-5-7-15-8-6-10/h1-4,10,15H,5-9H2
InChIKeyGEBKTDHOHDZZJP-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.29
Rot. Bonds4

About 1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone

1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone (PubChem CID 116570961) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone
PubChem CID116570961
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone
SMILESO=C(COC1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c14-12-4-2-1-3-11(12)13(16)9-17-10-5-7-15-8-6-10/h1-4,10,15H,5-9H2
InChIKeyGEBKTDHOHDZZJP-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63871254
1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one
CID 107311349
2-piperidin-4-yloxy-1-pyridin-2-ylethanone
CID 71645202
1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
CID 116571152
carbonic acid;4-(2-chlorophenoxy)piperidine
CID 23722971
1-(4-amino-3-pyridinyl)-2-piperidin-4-yloxyethanone
CID 116570980
1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one
CID 114281145
N-(2-chlorophenyl)-3-piperidin-4-yloxypropanamide
CID 63877513
3-chloro-2-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81264988
2-cyclopentyloxy-1-(2-fluorophenyl)ethanone
CID 43799397
1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone
CID 114520610
1-phenyl-3-piperidin-4-yloxypropan-1-one
CID 116572261

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone (CID 116570961) is 1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone is O=C(COC1CCNCC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone?
The InChIKey is GEBKTDHOHDZZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-4-2-1-3-11(12)13(16)9-17-10-5-7-15-8-6-10/h1-4,10,15H,5-9H2.
What are the key properties of 1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone?
1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone has a molecular weight of 253.73 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 116570961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).