2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C14H26N2O2 — CID 60645001

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCCC(CO)C2)CC1
InChIInChI=1S/C14H26N2O2/c1-12-4-7-16(8-5-12)14(18)10-15-6-2-3-13(9-15)11-17/h12-13,17H,2-11H2,1H3
InChIKeyYHQRZFSIZDCWOG-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.95
Rot. Bonds3

About 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 60645001) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID60645001
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCCC(CO)C2)CC1
InChIInChI=1S/C14H26N2O2/c1-12-4-7-16(8-5-12)14(18)10-15-6-2-3-13(9-15)11-17/h12-13,17H,2-11H2,1H3
InChIKeyYHQRZFSIZDCWOG-UHFFFAOYSA-N
XLogP0.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 60645001) is 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN2CCCC(CO)C2)CC1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is YHQRZFSIZDCWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12-4-7-16(8-5-12)14(18)10-15-6-2-3-13(9-15)11-17/h12-13,17H,2-11H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 60645001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).