3-(1-methylpiperidin-4-yl)but-3-en-1-amine

C10H20N2 — CID 117268269

IUPAC3-(1-methylpiperidin-4-yl)but-3-en-1-amine
SMILESC=C(CCN)C1CCN(C)CC1
InChIInChI=1S/C10H20N2/c1-9(3-6-11)10-4-7-12(2)8-5-10/h10H,1,3-8,11H2,2H3
InChIKeyUGFFDJYTXWVFBC-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.23
Rot. Bonds3

About 3-(1-methylpiperidin-4-yl)but-3-en-1-amine

3-(1-methylpiperidin-4-yl)but-3-en-1-amine (PubChem CID 117268269) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)but-3-en-1-amine.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)but-3-en-1-amine
PubChem CID117268269
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-(1-methylpiperidin-4-yl)but-3-en-1-amine
SMILESC=C(CCN)C1CCN(C)CC1
InChIInChI=1S/C10H20N2/c1-9(3-6-11)10-4-7-12(2)8-5-10/h10H,1,3-8,11H2,2H3
InChIKeyUGFFDJYTXWVFBC-UHFFFAOYSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
CID 117266264
3-piperidin-4-ylbut-3-en-1-amine
CID 117268268
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 54873923
2-(1-methylpiperidin-4-yl)prop-2-enenitrile
CID 89188515
1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine
CID 160512898
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 116916278
(2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine
CID 167039292
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
4-amino-N-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 60731508

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)but-3-en-1-amine?
The IUPAC name of 3-(1-methylpiperidin-4-yl)but-3-en-1-amine (CID 117268269) is 3-(1-methylpiperidin-4-yl)but-3-en-1-amine.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)but-3-en-1-amine?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)but-3-en-1-amine is C=C(CCN)C1CCN(C)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)but-3-en-1-amine?
The InChIKey is UGFFDJYTXWVFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(3-6-11)10-4-7-12(2)8-5-10/h10H,1,3-8,11H2,2H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)but-3-en-1-amine?
3-(1-methylpiperidin-4-yl)but-3-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)but-3-en-1-amine is sourced from PubChem (CID 117268269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).