[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone

C15H20ClNO3 — CID 82701383

IUPAC[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(OCCCl)CC2)c1O
InChIInChI=1S/C15H20ClNO3/c1-11-3-2-4-13(14(11)18)15(19)17-8-5-12(6-9-17)20-10-7-16/h2-4,12,18H,5-10H2,1H3
InChIKeyXYTACTNQGBQEJL-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.56
Rot. Bonds4

About [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone

[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone (PubChem CID 82701383) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
PubChem CID82701383
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(OCCCl)CC2)c1O
InChIInChI=1S/C15H20ClNO3/c1-11-3-2-4-13(14(11)18)15(19)17-8-5-12(6-9-17)20-10-7-16/h2-4,12,18H,5-10H2,1H3
InChIKeyXYTACTNQGBQEJL-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 82701460
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 82701609
[4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 82701909
[4-(2-chloroethoxy)piperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 82701310
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 82701691
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248844
[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863992
2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
CID 79614738
[4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 82701395
(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819959
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098277

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone (CID 82701383) is [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC(OCCCl)CC2)c1O.
What is the InChIKey of [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The InChIKey is XYTACTNQGBQEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-11-3-2-4-13(14(11)18)15(19)17-8-5-12(6-9-17)20-10-7-16/h2-4,12,18H,5-10H2,1H3.
What are the key properties of [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone has a molecular weight of 297.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 82701383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).