[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone

C14H18ClNO3 — CID 82701460

IUPAC[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCC(OCCCl)CC1
InChIInChI=1S/C14H18ClNO3/c15-7-10-19-11-5-8-16(9-6-11)14(18)12-3-1-2-4-13(12)17/h1-4,11,17H,5-10H2
InChIKeyXZZXMNGOLYWMQW-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.25
Rot. Bonds4

About [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone

[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 82701460) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID82701460
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCC(OCCCl)CC1
InChIInChI=1S/C14H18ClNO3/c15-7-10-19-11-5-8-16(9-6-11)14(18)12-3-1-2-4-13(12)17/h1-4,11,17H,5-10H2
InChIKeyXZZXMNGOLYWMQW-UHFFFAOYSA-N
XLogP2.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.25
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-ethylphenyl)methanone
CID 82701909
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 82701691
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 82701383
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 82701609
[4-(2-chloroethoxy)piperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 82701310
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863992
[4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 82702067
[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
CID 166451635
[4-(2-bromoethoxy)piperidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732684
[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 79736339
4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 108568144

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone (CID 82701460) is [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)N1CCC(OCCCl)CC1.
What is the InChIKey of [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is XZZXMNGOLYWMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-7-10-19-11-5-8-16(9-6-11)14(18)12-3-1-2-4-13(12)17/h1-4,11,17H,5-10H2.
What are the key properties of [4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 283.75 g/mol, XLogP of 2.25, 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-hydroxyphenyl)methanone is sourced from PubChem (CID 82701460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).