[1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

C13H24N2O2 — CID 80588732

IUPAC[1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCC1CC(CN)(C(=O)N2CCC(CO)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-10-6-13(7-10,9-14)12(17)15-4-2-11(8-16)3-5-15/h10-11,16H,2-9,14H2,1H3
InChIKeyHKWCFYHZEMQWHE-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.59
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

[1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 80588732) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID80588732
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCC1CC(CN)(C(=O)N2CCC(CO)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-10-6-13(7-10,9-14)12(17)15-4-2-11(8-16)3-5-15/h10-11,16H,2-9,14H2,1H3
InChIKeyHKWCFYHZEMQWHE-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 80588739
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 80587778
[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 80587278
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 80598306
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 80598312
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80588160
[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355744
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 115442204
[1-(aminomethyl)-3-methylcyclobutyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81197523
[4-(aminomethyl)oxan-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624832
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 115441480

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 80588732) is [1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is CC1CC(CN)(C(=O)N2CCC(CO)CC2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is HKWCFYHZEMQWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-6-13(7-10,9-14)12(17)15-4-2-11(8-16)3-5-15/h10-11,16H,2-9,14H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80588732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).