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

C16H25ClN2O2 — CID 6603259

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
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
InChIKeyBVDFQEKIPFWGDL-UHFFFAOYSA-N
MW312.84 g/mol
LogP1.98
Rot. Bonds4

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

[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride (PubChem CID 6603259) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
PubChem CID6603259
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
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
InChIKeyBVDFQEKIPFWGDL-UHFFFAOYSA-N
XLogP1.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
Azd-5213
CID 53342708
N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
CID 91810840
(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 16196020
(4-Benzoyl-piperazin-1-yl)-cyclopropyl-methanone
CID 776691
3,4-Dimethyl-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 1105927
1-(3,4-Dimethylbenzoyl)-4-methylpiperidine
CID 789001
(4-Methyl-1-piperazinyl)phenylmethanone
CID 1531644
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
CID 2164117

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride (CID 6603259) is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride 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;hydrochloride?
The InChIKey is BVDFQEKIPFWGDL-UHFFFAOYSA-N. 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.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride?
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 1.98, 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;hydrochloride is sourced from PubChem (CID 6603259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).