(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone

C17H26N2O3 — CID 95613064

IUPAC(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(C[C@@H](O)CC)CC1
InChIInChI=1S/C17H26N2O3/c1-3-14(20)13-18-9-11-19(12-10-18)17(21)15-7-5-6-8-16(15)22-4-2/h5-8,14,20H,3-4,9-13H2,1-2H3/t14-/m0/s1
InChIKeyUFZRHKPMLXACKB-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.61
Rot. Bonds6

About (2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone

(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone (PubChem CID 95613064) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
PubChem CID95613064
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(C[C@@H](O)CC)CC1
InChIInChI=1S/C17H26N2O3/c1-3-14(20)13-18-9-11-19(12-10-18)17(21)15-7-5-6-8-16(15)22-4-2/h5-8,14,20H,3-4,9-13H2,1-2H3/t14-/m0/s1
InChIKeyUFZRHKPMLXACKB-AWEZNQCLSA-N
XLogP1.61
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxyphenyl)-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]methanone
CID 75507486
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[4-(2-bromoethyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 80661320
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
(3S)-3-[4-(2-ethoxybenzoyl)piperazin-1-yl]butanenitrile
CID 94498277
(4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 167937294
3-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119285201
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95345574
(2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930139
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
2-(cyclopropylmethylamino)-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 119715860
(2-ethoxyphenyl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95304741

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone (CID 95613064) is (2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCN(C[C@@H](O)CC)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone?
The InChIKey is UFZRHKPMLXACKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-14(20)13-18-9-11-19(12-10-18)17(21)15-7-5-6-8-16(15)22-4-2/h5-8,14,20H,3-4,9-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone?
(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95613064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).