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

C17H32N2O2 — CID 50961244

IUPAC1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCCC(CO)(CC(C)C)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-14(2)11-17(13-20)7-4-8-19(12-17)16-5-9-18(10-6-16)15(3)21/h14,16,20H,4-13H2,1-3H3
InChIKeyFXTLCTWPYVDLNK-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.12
Rot. Bonds4

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

1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 50961244) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID50961244
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCCC(CO)(CC(C)C)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-14(2)11-17(13-20)7-4-8-19(12-17)16-5-9-18(10-6-16)15(3)21/h14,16,20H,4-13H2,1-3H3
InChIKeyFXTLCTWPYVDLNK-UHFFFAOYSA-N
XLogP2.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 50961244) is 1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCCC(CO)(CC(C)C)C2)CC1.
What is the InChIKey of 1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is FXTLCTWPYVDLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)11-17(13-20)7-4-8-19(12-17)16-5-9-18(10-6-16)15(3)21/h14,16,20H,4-13H2,1-3H3.
What are the key properties of 1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 296.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50961244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).