[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

C20H25N3O2 — CID 138022493

IUPAC[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(c3ccncc3CO)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(2)16-3-5-17(6-4-16)20(25)23-11-9-22(10-12-23)19-7-8-21-13-18(19)14-24/h3-8,13,15,24H,9-12,14H2,1-2H3
InChIKeyYYCHJRIBLDMJRO-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.66
Rot. Bonds4

About [4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 138022493) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID138022493
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(c3ccncc3CO)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(2)16-3-5-17(6-4-16)20(25)23-11-9-22(10-12-23)19-7-8-21-13-18(19)14-24/h3-8,13,15,24H,9-12,14H2,1-2H3
InChIKeyYYCHJRIBLDMJRO-UHFFFAOYSA-N
XLogP2.66
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81238726
3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 154802619
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81237350
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 46464002
2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 136568130
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 136568171
[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 126812437
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322

Frequently Asked Questions

What is the IUPAC name of [4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 138022493) is [4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCN(c3ccncc3CO)CC2)cc1.
What is the InChIKey of [4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is YYCHJRIBLDMJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)16-3-5-17(6-4-16)20(25)23-11-9-22(10-12-23)19-7-8-21-13-18(19)14-24/h3-8,13,15,24H,9-12,14H2,1-2H3.
What are the key properties of [4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 138022493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).