azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone

C14H26N2O2 — CID 116634620

IUPACazepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESO=C(C1CCCCCN1)N1CCCCCC1CO
InChIInChI=1S/C14H26N2O2/c17-11-12-7-3-2-6-10-16(12)14(18)13-8-4-1-5-9-15-13/h12-13,15,17H,1-11H2
InChIKeyOUTZLBRADGENGC-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.28
Rot. Bonds2

About azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone

azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone (PubChem CID 116634620) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Nameazepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
PubChem CID116634620
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameazepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESO=C(C1CCCCCN1)N1CCCCCC1CO
InChIInChI=1S/C14H26N2O2/c17-11-12-7-3-2-6-10-16(12)14(18)13-8-4-1-5-9-15-13/h12-13,15,17H,1-11H2
InChIKeyOUTZLBRADGENGC-UHFFFAOYSA-N
XLogP1.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217930
[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
[2-(2-hydroxyethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61149225
piperidin-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053071
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831896
(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 114429600
(2-propylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 83052563
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The IUPAC name of azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone (CID 116634620) is azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone.
What is the SMILES notation for azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The canonical SMILES for azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone is O=C(C1CCCCCN1)N1CCCCCC1CO.
What is the InChIKey of azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The InChIKey is OUTZLBRADGENGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-11-12-7-3-2-6-10-16(12)14(18)13-8-4-1-5-9-15-13/h12-13,15,17H,1-11H2.
What are the key properties of azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone is sourced from PubChem (CID 116634620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).