(4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone

C17H26N2O2 — CID 63910772

IUPAC(4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCCCCOc1ccc(C(=O)N2C(C)CNCC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-4-5-10-21-16-8-6-15(7-9-16)17(20)19-13(2)11-18-12-14(19)3/h6-9,13-14,18H,4-5,10-12H2,1-3H3
InChIKeyKOJMEUNZRCQDDR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.69
Rot. Bonds5

About (4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone

(4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone (PubChem CID 63910772) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
PubChem CID63910772
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCCCCOc1ccc(C(=O)N2C(C)CNCC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-4-5-10-21-16-8-6-15(7-9-16)17(20)19-13(2)11-18-12-14(19)3/h6-9,13-14,18H,4-5,10-12H2,1-3H3
InChIKeyKOJMEUNZRCQDDR-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
(4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone
CID 113375601
(5-butoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 22220005
8-azabicyclo[3.2.1]oct-2-en-8-yl-(4-butoxyphenyl)methanone
CID 90627142
(4-butoxyphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331547
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(3-methoxypropoxy)phenyl]methanone
CID 120656604
[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119473075
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(4-butoxyphenyl)methanone
CID 102787971
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
(3-bromopyrrolidin-1-yl)-(4-butoxyphenyl)methanone
CID 80677906

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone (CID 63910772) is (4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone is CCCCOc1ccc(C(=O)N2C(C)CNCC2C)cc1.
What is the InChIKey of (4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The InChIKey is KOJMEUNZRCQDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-5-10-21-16-8-6-15(7-9-16)17(20)19-13(2)11-18-12-14(19)3/h6-9,13-14,18H,4-5,10-12H2,1-3H3.
What are the key properties of (4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
(4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63910772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).