[4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride

C19H29ClN2O3 — CID 141234549

IUPAC[4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CN(C(=O)c2ccc(OC3CCOCC3)cc2)CCN1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-14(2)18-13-21(10-9-20-18)19(22)15-3-5-16(6-4-15)24-17-7-11-23-12-8-17;/h3-6,14,17-18,20H,7-13H2,1-2H3;1H
InChIKeyYEJZUPSPRDQWMC-UHFFFAOYSA-N
MW368.91 g/mol
LogP2.74
Rot. Bonds4

About [4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride

[4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 141234549) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is [4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID141234549
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name[4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CN(C(=O)c2ccc(OC3CCOCC3)cc2)CCN1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-14(2)18-13-21(10-9-20-18)19(22)15-3-5-16(6-4-15)24-17-7-11-23-12-8-17;/h3-6,14,17-18,20H,7-13H2,1-2H3;1H
InChIKeyYEJZUPSPRDQWMC-UHFFFAOYSA-N
XLogP2.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 136543985
3-methyl-1-[4-(oxan-4-yloxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119257401
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
(3,4-difluorophenyl)-(3-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 82249346
6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone
CID 136538070
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 119354149
(3-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119579326
2-[methyl-[4-(oxan-4-yloxy)benzoyl]amino]propanoic acid
CID 119209529
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone
CID 120740228

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride (CID 141234549) is [4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride is CC(C)C1CN(C(=O)c2ccc(OC3CCOCC3)cc2)CCN1.Cl.
What is the InChIKey of [4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is YEJZUPSPRDQWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.ClH/c1-14(2)18-13-21(10-9-20-18)19(22)15-3-5-16(6-4-15)24-17-7-11-23-12-8-17;/h3-6,14,17-18,20H,7-13H2,1-2H3;1H.
What are the key properties of [4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
[4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 141234549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).