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

C13H24N2O2 — CID 106738823

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
SMILESCC1CC(C(=O)N2CCCCC2CO)CCN1
InChIInChI=1S/C13H24N2O2/c1-10-8-11(5-6-14-10)13(17)15-7-3-2-4-12(15)9-16/h10-12,14,16H,2-9H2,1H3
InChIKeyKJOHGBCNGMZWDN-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds2

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

[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone (PubChem CID 106738823) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
PubChem CID106738823
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
SMILESCC1CC(C(=O)N2CCCCC2CO)CCN1
InChIInChI=1S/C13H24N2O2/c1-10-8-11(5-6-14-10)13(17)15-7-3-2-4-12(15)9-16/h10-12,14,16H,2-9H2,1H3
InChIKeyKJOHGBCNGMZWDN-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 106739919
[2-(3-methylbutyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120639137
[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120637820
[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63005263
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617962
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
[2-(hydroxymethyl)azepan-1-yl]-(5-methylpiperidin-3-yl)methanone
CID 116634917
(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 114429600
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone (CID 106738823) is [2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone is CC1CC(C(=O)N2CCCCC2CO)CCN1.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone?
The InChIKey is KJOHGBCNGMZWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-8-11(5-6-14-10)13(17)15-7-3-2-4-12(15)9-16/h10-12,14,16H,2-9H2,1H3.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 106738823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).