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

C14H26N2O2 — CID 60768603

IUPAC1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(CO)CC1)N1CCCCCC1
InChIInChI=1S/C14H26N2O2/c17-12-13-5-9-15(10-6-13)11-14(18)16-7-3-1-2-4-8-16/h13,17H,1-12H2
InChIKeyGYZSFNMAWPSCQM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.09
Rot. Bonds3

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

1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 60768603) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID60768603
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(CO)CC1)N1CCCCCC1
InChIInChI=1S/C14H26N2O2/c17-12-13-5-9-15(10-6-13)11-14(18)16-7-3-1-2-4-8-16/h13,17H,1-12H2
InChIKeyGYZSFNMAWPSCQM-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 60768603) is 1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CN1CCC(CO)CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is GYZSFNMAWPSCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-12-13-5-9-15(10-6-13)11-14(18)16-7-3-1-2-4-8-16/h13,17H,1-12H2.
What are the key properties of 1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 60768603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).