1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

C15H25N3O2 — CID 70760075

IUPAC1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCCCC1(CO)CCCN(C(=O)Cn2cc(C)cn2)C1
InChIInChI=1S/C15H25N3O2/c1-3-5-15(12-19)6-4-7-17(11-15)14(20)10-18-9-13(2)8-16-18/h8-9,19H,3-7,10-12H2,1-2H3
InChIKeyDECYQPCSRCDMJK-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.59
Rot. Bonds5

About 1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 70760075) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID70760075
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCCCC1(CO)CCCN(C(=O)Cn2cc(C)cn2)C1
InChIInChI=1S/C15H25N3O2/c1-3-5-15(12-19)6-4-7-17(11-15)14(20)10-18-9-13(2)8-16-18/h8-9,19H,3-7,10-12H2,1-2H3
InChIKeyDECYQPCSRCDMJK-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 70760075) is 1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is CCCC1(CO)CCCN(C(=O)Cn2cc(C)cn2)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is DECYQPCSRCDMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-5-15(12-19)6-4-7-17(11-15)14(20)10-18-9-13(2)8-16-18/h8-9,19H,3-7,10-12H2,1-2H3.
What are the key properties of 1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 279.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 70760075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).