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

C13H15Cl2NO2 — CID 63398279

IUPAC(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1O)N1CCC(CCl)CC1
InChIInChI=1S/C13H15Cl2NO2/c14-8-9-3-5-16(6-4-9)13(18)11-2-1-10(15)7-12(11)17/h1-2,7,9,17H,3-6,8H2
InChIKeyUADXJOSAMWANEX-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.14
Rot. Bonds2

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

(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone (PubChem CID 63398279) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
PubChem CID63398279
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1O)N1CCC(CCl)CC1
InChIInChI=1S/C13H15Cl2NO2/c14-8-9-3-5-16(6-4-9)13(18)11-2-1-10(15)7-12(11)17/h1-2,7,9,17H,3-6,8H2
InChIKeyUADXJOSAMWANEX-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697914
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
(5-chloro-2-fluorophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396090
1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one
CID 24706727
(4-chloro-2-hydroxyphenyl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 56890134
(4-chloro-2-hydroxyphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63528702
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
(4-chloro-2-hydroxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282816
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone (CID 63398279) is (4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1O)N1CCC(CCl)CC1.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone?
The InChIKey is UADXJOSAMWANEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-8-9-3-5-16(6-4-9)13(18)11-2-1-10(15)7-12(11)17/h1-2,7,9,17H,3-6,8H2.
What are the key properties of (4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone?
(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone has a molecular weight of 288.17 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63398279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).