[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone

C14H20N2O3 — CID 77082052

IUPAC[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(CO)cc2)CC1CO
InChIInChI=1S/C14H20N2O3/c1-15-6-7-16(8-13(15)10-18)14(19)12-4-2-11(9-17)3-5-12/h2-5,13,17-18H,6-10H2,1H3
InChIKeyTYONTKYUMYNNPR-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.07
Rot. Bonds3

About [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone

[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone (PubChem CID 77082052) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
PubChem CID77082052
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(CO)cc2)CC1CO
InChIInChI=1S/C14H20N2O3/c1-15-6-7-16(8-13(15)10-18)14(19)12-4-2-11(9-17)3-5-12/h2-5,13,17-18H,6-10H2,1H3
InChIKeyTYONTKYUMYNNPR-UHFFFAOYSA-N
XLogP-0.07
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone with MolForge

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Related Compounds

(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603575
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 70727381
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 135098550
(3-chloro-4-hydroxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55218173
[4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 126432795
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
(2-amino-5-chloro-3-fluorophenyl)-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 126825227
[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 146103961
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 104782923

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone?
The IUPAC name of [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone (CID 77082052) is [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone is CN1CCN(C(=O)c2ccc(CO)cc2)CC1CO.
What is the InChIKey of [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone?
The InChIKey is TYONTKYUMYNNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-6-7-16(8-13(15)10-18)14(19)12-4-2-11(9-17)3-5-12/h2-5,13,17-18H,6-10H2,1H3.
What are the key properties of [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone?
[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone has a molecular weight of 264.33 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone is sourced from PubChem (CID 77082052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).