3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one

C10H18N2O — CID 115016261

IUPAC3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one
SMILESNCC1(C2CCNCC2)CC(=O)C1
InChIInChI=1S/C10H18N2O/c11-7-10(5-9(13)6-10)8-1-3-12-4-2-8/h8,12H,1-7,11H2
InChIKeyWOTLNAQWGKTHNA-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.29
Rot. Bonds2

About 3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one

3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one (PubChem CID 115016261) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one
PubChem CID115016261
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one
SMILESNCC1(C2CCNCC2)CC(=O)C1
InChIInChI=1S/C10H18N2O/c11-7-10(5-9(13)6-10)8-1-3-12-4-2-8/h8,12H,1-7,11H2
InChIKeyWOTLNAQWGKTHNA-UHFFFAOYSA-N
XLogP0.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(piperidin-4-ylmethyl)piperidin-4-one
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4-(1-benzylcyclobutyl)piperidine
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CID 88790374
4-(piperidin-4-ylmethyl)piperidine
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6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione
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[3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine
CID 115032891

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one?
The IUPAC name of 3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one (CID 115016261) is 3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one.
What is the SMILES notation for 3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one?
The canonical SMILES for 3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one is NCC1(C2CCNCC2)CC(=O)C1.
What is the InChIKey of 3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one?
The InChIKey is WOTLNAQWGKTHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-7-10(5-9(13)6-10)8-1-3-12-4-2-8/h8,12H,1-7,11H2.
What are the key properties of 3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one?
3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-piperidin-4-ylcyclobutan-1-one is sourced from PubChem (CID 115016261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).