[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride

C16H24ClN2O2- — CID 53312695

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
SMILESCC(C)c1ccc(C(=O)N2CCN(CCO)CC2)cc1.[Cl-]
InChIInChI=1S/C16H24N2O2.ClH/c1-13(2)14-3-5-15(6-4-14)16(20)18-9-7-17(8-10-18)11-12-19;/h3-6,13,19H,7-12H2,1-2H3;1H/p-1
InChIKeyBVDFQEKIPFWGDL-UHFFFAOYSA-M
MW311.83 g/mol
LogP-1.44
Rot. Bonds4

About [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride

[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride (PubChem CID 53312695) has the molecular formula C16H24ClN2O2- and a molecular weight of 311.83 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
PubChem CID53312695
Molecular FormulaC16H24ClN2O2-
Molecular Weight311.83 g/mol
Exact Mass311.15
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
SMILESCC(C)c1ccc(C(=O)N2CCN(CCO)CC2)cc1.[Cl-]
InChIInChI=1S/C16H24N2O2.ClH/c1-13(2)14-3-5-15(6-4-14)16(20)18-9-7-17(8-10-18)11-12-19;/h3-6,13,19H,7-12H2,1-2H3;1H/p-1
InChIKeyBVDFQEKIPFWGDL-UHFFFAOYSA-M
XLogP-1.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 63394284
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 43415619
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 43393803
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
[4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone
CID 122568889
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride (CID 53312695) is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride is CC(C)c1ccc(C(=O)N2CCN(CCO)CC2)cc1.[Cl-].
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride?
The InChIKey is BVDFQEKIPFWGDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-13(2)14-3-5-15(6-4-14)16(20)18-9-7-17(8-10-18)11-12-19;/h3-6,13,19H,7-12H2,1-2H3;1H/p-1.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride?
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride has a molecular weight of 311.83 g/mol, XLogP of -1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride is sourced from PubChem (CID 53312695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).