[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H23ClN2O2 — CID 62166978

IUPAC[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCCCC1CCO
InChIInChI=1S/C16H23ClN2O2/c1-2-18-15-7-6-12(17)11-14(15)16(21)19-9-4-3-5-13(19)8-10-20/h6-7,11,13,18,20H,2-5,8-10H2,1H3
InChIKeyODTNYAXNKSHFLG-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.15
Rot. Bonds5

About [5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 62166978) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID62166978
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCCCC1CCO
InChIInChI=1S/C16H23ClN2O2/c1-2-18-15-7-6-12(17)11-14(15)16(21)19-9-4-3-5-13(19)8-10-20/h6-7,11,13,18,20H,2-5,8-10H2,1H3
InChIKeyODTNYAXNKSHFLG-UHFFFAOYSA-N
XLogP3.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83045411
[5-chloro-2-(ethylamino)phenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62178255
(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83061992
[5-chloro-2-(methylamino)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637953
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108511874
[2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62479621
[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106741494
[6-(ethylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62165751
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(5-chloro-2-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053352

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 62166978) is [5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is CCNc1ccc(Cl)cc1C(=O)N1CCCCC1CCO.
What is the InChIKey of [5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is ODTNYAXNKSHFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-18-15-7-6-12(17)11-14(15)16(21)19-9-4-3-5-13(19)8-10-20/h6-7,11,13,18,20H,2-5,8-10H2,1H3.
What are the key properties of [5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 310.83 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62166978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).