2-amino-1-(4-methylpiperidin-1-yl)propan-1-one

C9H18N2O — CID 18715079

IUPAC2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)N)CC1
InChIInChI=1S/C9H18N2O/c1-7-3-5-11(6-4-7)9(12)8(2)10/h7-8H,3-6,10H2,1-2H3
InChIKeyHWWVYDNMIAEGFM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds1

About 2-amino-1-(4-methylpiperidin-1-yl)propan-1-one

2-amino-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 18715079) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-amino-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID18715079
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)N)CC1
InChIInChI=1S/C9H18N2O/c1-7-3-5-11(6-4-7)9(12)8(2)10/h7-8H,3-6,10H2,1-2H3
InChIKeyHWWVYDNMIAEGFM-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
CID 130747616
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
(2S)-2-amino-3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119675086
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831
[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
CID 67663006
(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
CID 119312938

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(4-methylpiperidin-1-yl)propan-1-one (CID 18715079) is 2-amino-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)N)CC1.
What is the InChIKey of 2-amino-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is HWWVYDNMIAEGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-3-5-11(6-4-7)9(12)8(2)10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-1-(4-methylpiperidin-1-yl)propan-1-one?
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 18715079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).