[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C16H23ClN2O2 — CID 106741494

IUPAC[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-18-15-5-4-13(17)10-14(15)16(21)19-8-6-12(7-9-19)11(2)20/h4-5,10-12,18,20H,3,6-9H2,1-2H3
InChIKeyMIEIIGNRMTTXNJ-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.00
Rot. Bonds4

About [5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 106741494) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID106741494
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-18-15-5-4-13(17)10-14(15)16(21)19-8-6-12(7-9-19)11(2)20/h4-5,10-12,18,20H,3,6-9H2,1-2H3
InChIKeyMIEIIGNRMTTXNJ-UHFFFAOYSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 62171256
[5-chloro-2-(ethylamino)phenyl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103529939
5-chloro-N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)benzamide
CID 63995007
[5-chloro-2-(ethylamino)phenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62178255
[5-chloro-2-(ethylamino)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103529941
[5-chloro-2-(propylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115967017
[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62169229
[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62166978
N-[1-[5-chloro-2-(ethylamino)benzoyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
CID 155949707
(2-bromo-5-chlorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022948

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 106741494) is [5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CCNc1ccc(Cl)cc1C(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of [5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is MIEIIGNRMTTXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-18-15-5-4-13(17)10-14(15)16(21)19-8-6-12(7-9-19)11(2)20/h4-5,10-12,18,20H,3,6-9H2,1-2H3.
What are the key properties of [5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 310.83 g/mol, XLogP of 3.00, 4 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]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106741494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).