1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one

C11H18N2O — CID 103840808

IUPAC1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one
SMILESC#CCCC(=O)N1CCCC(CN)C1
InChIInChI=1S/C11H18N2O/c1-2-3-6-11(14)13-7-4-5-10(8-12)9-13/h1,10H,3-9,12H2
InChIKeyOUUAMSFHEYUALP-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.60
Rot. Bonds3

About 1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one

1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one (PubChem CID 103840808) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one
PubChem CID103840808
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one
SMILESC#CCCC(=O)N1CCCC(CN)C1
InChIInChI=1S/C11H18N2O/c1-2-3-6-11(14)13-7-4-5-10(8-12)9-13/h1,10H,3-9,12H2
InChIKeyOUUAMSFHEYUALP-UHFFFAOYSA-N
XLogP0.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]pent-4-yn-1-one
CID 103840848
1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one
CID 130660557
3-(aminomethyl)piperidine-1-carboxamide;hydrochloride
CID 119031368
1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701233
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494864
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
3-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494865

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one?
The IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one (CID 103840808) is 1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one?
The canonical SMILES for 1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one is C#CCCC(=O)N1CCCC(CN)C1.
What is the InChIKey of 1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one?
The InChIKey is OUUAMSFHEYUALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-6-11(14)13-7-4-5-10(8-12)9-13/h1,10H,3-9,12H2.
What are the key properties of 1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one?
1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one has a molecular weight of 194.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one is sourced from PubChem (CID 103840808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).