5-(aminomethyl)-5-propylpiperidin-2-one

C9H18N2O — CID 83529483

IUPAC5-(aminomethyl)-5-propylpiperidin-2-one
SMILESCCCC1(CN)CCC(=O)NC1
InChIInChI=1S/C9H18N2O/c1-2-4-9(6-10)5-3-8(12)11-7-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyFRRYYDNXNULHIX-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.64
Rot. Bonds3

About 5-(aminomethyl)-5-propylpiperidin-2-one

5-(aminomethyl)-5-propylpiperidin-2-one (PubChem CID 83529483) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-(aminomethyl)-5-propylpiperidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-5-propylpiperidin-2-one
PubChem CID83529483
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-(aminomethyl)-5-propylpiperidin-2-one
SMILESCCCC1(CN)CCC(=O)NC1
InChIInChI=1S/C9H18N2O/c1-2-4-9(6-10)5-3-8(12)11-7-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyFRRYYDNXNULHIX-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-(hydroxymethyl)-5-methylpiperidin-2-one
CID 125181047
(4,4-dimethyl-1-propylcyclohexyl)methanamine
CID 65389394
4-methyl-4-propylpyrrolidin-2-one
CID 66106736
5-(aminomethyl)-5-ethyl-1-methylpiperidin-2-one
CID 83529481
3-ethyl-6-oxopiperidine-3-carboxylic acid
CID 83529536
5-(aminomethyl)-5-methylpyrrolidin-2-one
CID 55290596
(5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride
CID 170901449
ethanamine;pyrrolidin-2-one
CID 175437150
2-azaspiro[5.7]tridecan-3-one
CID 102737265
(3-fluoro-3-methyl-1-propylcyclobutyl)methanamine
CID 115012495
10-ethyl-2-azaspiro[5.5]undecan-3-one
CID 102737330
(3S)-3-ethyl-3-propylcyclohexan-1-one
CID 131089811

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-5-propylpiperidin-2-one?
The IUPAC name of 5-(aminomethyl)-5-propylpiperidin-2-one (CID 83529483) is 5-(aminomethyl)-5-propylpiperidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-5-propylpiperidin-2-one?
The canonical SMILES for 5-(aminomethyl)-5-propylpiperidin-2-one is CCCC1(CN)CCC(=O)NC1.
What is the InChIKey of 5-(aminomethyl)-5-propylpiperidin-2-one?
The InChIKey is FRRYYDNXNULHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-4-9(6-10)5-3-8(12)11-7-9/h2-7,10H2,1H3,(H,11,12).
What are the key properties of 5-(aminomethyl)-5-propylpiperidin-2-one?
5-(aminomethyl)-5-propylpiperidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-5-propylpiperidin-2-one is sourced from PubChem (CID 83529483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).