(2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

C15H23N2O2+ — CID 4743493

IUPAC(2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CC[NH+](C(C)C)CC1
InChIInChI=1S/C15H22N2O2/c1-12(2)16-8-10-17(11-9-16)15(18)13-6-4-5-7-14(13)19-3/h4-7,12H,8-11H2,1-3H3/p+1
InChIKeyBGNZBMVZTICNRI-UHFFFAOYSA-O
MW263.36 g/mol
LogP0.44
Rot. Bonds3

About (2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

(2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone (PubChem CID 4743493) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is (2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone
PubChem CID4743493
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name(2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CC[NH+](C(C)C)CC1
InChIInChI=1S/C15H22N2O2/c1-12(2)16-8-10-17(11-9-16)15(18)13-6-4-5-7-14(13)19-3/h4-7,12H,8-11H2,1-3H3/p+1
InChIKeyBGNZBMVZTICNRI-UHFFFAOYSA-O
XLogP0.44
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylpiperazin-4-ium-1-carbonyl)benzoate
CID 2050718
2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 108567688
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
(2-methoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4215728
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
(2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone
CID 7353310
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone (CID 4743493) is (2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone is COc1ccccc1C(=O)N1CC[NH+](C(C)C)CC1.
What is the InChIKey of (2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone?
The InChIKey is BGNZBMVZTICNRI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)16-8-10-17(11-9-16)15(18)13-6-4-5-7-14(13)19-3/h4-7,12H,8-11H2,1-3H3/p+1.
What are the key properties of (2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone?
(2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone has a molecular weight of 263.36 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone is sourced from PubChem (CID 4743493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).