1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one

C10H20N2O — CID 165476111

IUPAC1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CN)C(C)C1
InChIInChI=1S/C10H20N2O/c1-3-10(13)12-5-4-9(6-11)8(2)7-12/h8-9H,3-7,11H2,1-2H3
InChIKeyIQWQWVQTHHIHHA-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.84
Rot. Bonds2

About 1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one

1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 165476111) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID165476111
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CN)C(C)C1
InChIInChI=1S/C10H20N2O/c1-3-10(13)12-5-4-9(6-11)8(2)7-12/h8-9H,3-7,11H2,1-2H3
InChIKeyIQWQWVQTHHIHHA-UHFFFAOYSA-N
XLogP0.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961
1-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]propan-1-one
CID 89224237
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-3,3-dimethylbutan-1-one
CID 114960628
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]octan-1-one
CID 114960528
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
1-(4-amino-3-methylpiperidin-1-yl)octan-1-one
CID 79880598
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
CID 119592411
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 114501416

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one (CID 165476111) is 1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one is CCC(=O)N1CCC(CN)C(C)C1.
What is the InChIKey of 1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is IQWQWVQTHHIHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-10(13)12-5-4-9(6-11)8(2)7-12/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one?
1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 165476111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).