[2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone

C14H26N2O2 — CID 116634917

IUPAC[2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone
SMILESCC1CNCC(C(=O)N2CCCCCC2CO)C1
InChIInChI=1S/C14H26N2O2/c1-11-7-12(9-15-8-11)14(18)16-6-4-2-3-5-13(16)10-17/h11-13,15,17H,2-10H2,1H3
InChIKeyCVEXMGACTCTUEV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.00
Rot. Bonds2

About [2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone

[2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone (PubChem CID 116634917) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone
PubChem CID116634917
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone
SMILESCC1CNCC(C(=O)N2CCCCCC2CO)C1
InChIInChI=1S/C14H26N2O2/c1-11-7-12(9-15-8-11)14(18)16-6-4-2-3-5-13(16)10-17/h11-13,15,17H,2-10H2,1H3
InChIKeyCVEXMGACTCTUEV-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 63715085
[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63005263
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
[2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone
CID 114278715
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
4-[2-(hydroxymethyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 116636786
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
2-(azetidin-3-yl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634525
[2-(hydroxymethyl)azepan-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 116636465
2-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116634329
1-(5-methylpiperidine-3-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196161

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone (CID 116634917) is [2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone is CC1CNCC(C(=O)N2CCCCCC2CO)C1.
What is the InChIKey of [2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone?
The InChIKey is CVEXMGACTCTUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-7-12(9-15-8-11)14(18)16-6-4-2-3-5-13(16)10-17/h11-13,15,17H,2-10H2,1H3.
What are the key properties of [2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone?
[2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 116634917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).