[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone

C13H24N2O2 — CID 129491032

IUPAC[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
SMILESCC1(CO)CCN(C(=O)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(10-16)4-7-15(8-5-13)12(17)11-3-2-6-14-9-11/h11,14,16H,2-10H2,1H3/t11-/m1/s1
InChIKeyOMHLQFWSJPSCPE-LLVKDONJSA-N
MW240.35 g/mol
LogP0.61
Rot. Bonds2

About [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone

[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone (PubChem CID 129491032) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
PubChem CID129491032
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
SMILESCC1(CO)CCN(C(=O)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(10-16)4-7-15(8-5-13)12(17)11-3-2-6-14-9-11/h11,14,16H,2-10H2,1H3/t11-/m1/s1
InChIKeyOMHLQFWSJPSCPE-LLVKDONJSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126106
4-ethyl-1-[(3S)-piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 81141638
(3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134714
[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129495751
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 81128709
(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119803734
2-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844103

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone (CID 129491032) is [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone is CC1(CO)CCN(C(=O)[C@@H]2CCCNC2)CC1.
What is the InChIKey of [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The InChIKey is OMHLQFWSJPSCPE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(10-16)4-7-15(8-5-13)12(17)11-3-2-6-14-9-11/h11,14,16H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone?
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone is sourced from PubChem (CID 129491032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).