(3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone

C14H20N2O3 — CID 107703961

IUPAC(3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(O)cc(O)c2)CC1(C)C
InChIInChI=1S/C14H20N2O3/c1-14(2)9-16(5-4-15(14)3)13(19)10-6-11(17)8-12(18)7-10/h6-8,17-18H,4-5,9H2,1-3H3
InChIKeyFYZRBKMNTABQAA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds1

About (3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone

(3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 107703961) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID107703961
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(O)cc(O)c2)CC1(C)C
InChIInChI=1S/C14H20N2O3/c1-14(2)9-16(5-4-15(14)3)13(19)10-6-11(17)8-12(18)7-10/h6-8,17-18H,4-5,9H2,1-3H3
InChIKeyFYZRBKMNTABQAA-UHFFFAOYSA-N
XLogP1.26
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102737645
(2-bromo-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114037418
(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63619887
(6-chloro-3-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63635890
[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63614802
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 107702562
(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 55249335
(2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107952423
(4-sulfanylthiophen-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107029877
(2-bromo-5-sulfanylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107029870
(2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817234

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 107703961) is (3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(O)cc(O)c2)CC1(C)C.
What is the InChIKey of (3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is FYZRBKMNTABQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)9-16(5-4-15(14)3)13(19)10-6-11(17)8-12(18)7-10/h6-8,17-18H,4-5,9H2,1-3H3.
What are the key properties of (3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
(3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 107703961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).