(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C14H18ClNO3 — CID 62371633

IUPAC(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCCC(CCO)C1
InChIInChI=1S/C14H18ClNO3/c15-12-8-11(3-4-13(12)18)14(19)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17-18H,1-2,5-7,9H2
InChIKeyHLJBXJQOZOYYBG-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.28
Rot. Bonds3

About (3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 62371633) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID62371633
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCCC(CCO)C1
InChIInChI=1S/C14H18ClNO3/c15-12-8-11(3-4-13(12)18)14(19)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17-18H,1-2,5-7,9H2
InChIKeyHLJBXJQOZOYYBG-UHFFFAOYSA-N
XLogP2.28
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
(4-amino-3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796674
(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371472
(3-bromo-4-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855477
(2,4-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 55209548
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide
CID 107227391
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 62371633) is (3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1ccc(O)c(Cl)c1)N1CCCC(CCO)C1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is HLJBXJQOZOYYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-8-11(3-4-13(12)18)14(19)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17-18H,1-2,5-7,9H2.
What are the key properties of (3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 283.75 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62371633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).