[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride

C15H23ClN2O2 — CID 119401618

IUPAC[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCC(C)COc1cccc(C(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-12(2)11-19-14-5-3-4-13(10-14)15(18)17-8-6-16-7-9-17;/h3-5,10,12,16H,6-9,11H2,1-2H3;1H
InChIKeyLLWFXKRTGGEHJO-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.19
Rot. Bonds4

About [3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride

[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119401618) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is [3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119401618
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCC(C)COc1cccc(C(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-12(2)11-19-14-5-3-4-13(10-14)15(18)17-8-6-16-7-9-17;/h3-5,10,12,16H,6-9,11H2,1-2H3;1H
InChIKeyLLWFXKRTGGEHJO-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one
CID 60645920
(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
CID 119471460
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 119518490
methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
CID 108731428
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
1,4-diazepan-1-yl-[3-(2-methoxyethoxy)phenyl]methanone
CID 119414051
[4-(3-aminopropyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 54852636
azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
CID 134029931
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
6-[3-(2-methylpropoxy)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174556
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride (CID 119401618) is [3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride is CC(C)COc1cccc(C(=O)N2CCNCC2)c1.Cl.
What is the InChIKey of [3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is LLWFXKRTGGEHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-12(2)11-19-14-5-3-4-13(10-14)15(18)17-8-6-16-7-9-17;/h3-5,10,12,16H,6-9,11H2,1-2H3;1H.
What are the key properties of [3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride?
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119401618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).