[2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone

C14H26N2O2 — CID 114278715

IUPAC[2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone
SMILESCC1CNCCC1C(=O)N1CCCCCC1CO
InChIInChI=1S/C14H26N2O2/c1-11-9-15-7-6-13(11)14(18)16-8-4-2-3-5-12(16)10-17/h11-13,15,17H,2-10H2,1H3
InChIKeyWYDSFZDLSPDLOF-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.00
Rot. Bonds2

About [2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone

[2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone (PubChem CID 114278715) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone
PubChem CID114278715
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone
SMILESCC1CNCCC1C(=O)N1CCCCCC1CO
InChIInChI=1S/C14H26N2O2/c1-11-9-15-7-6-13(11)14(18)16-8-4-2-3-5-12(16)10-17/h11-13,15,17H,2-10H2,1H3
InChIKeyWYDSFZDLSPDLOF-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
2-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116634329
[2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone
CID 116634917
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride
CID 143614635
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
(2-aminocyclopentyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634506
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
[2-(hydroxymethyl)azepan-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 116636465
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone
CID 63103994

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone (CID 114278715) is [2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone is CC1CNCCC1C(=O)N1CCCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone?
The InChIKey is WYDSFZDLSPDLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-9-15-7-6-13(11)14(18)16-8-4-2-3-5-12(16)10-17/h11-13,15,17H,2-10H2,1H3.
What are the key properties of [2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone?
[2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-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]-(3-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 114278715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).