1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine

C10H20N2 — CID 107898566

IUPAC1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine
SMILESC/C=C/CN1CCC(NC)CC1
InChIInChI=1S/C10H20N2/c1-3-4-7-12-8-5-10(11-2)6-9-12/h3-4,10-11H,5-9H2,1-2H3/b4-3+
InChIKeySCJHHNKOVWSXDH-ONEGZZNKSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds3

About 1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine

1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine (PubChem CID 107898566) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine
PubChem CID107898566
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine
SMILESC/C=C/CN1CCC(NC)CC1
InChIInChI=1S/C10H20N2/c1-3-4-7-12-8-5-10(11-2)6-9-12/h3-4,10-11H,5-9H2,1-2H3/b4-3+
InChIKeySCJHHNKOVWSXDH-ONEGZZNKSA-N
XLogP1.25
TPSA15.27 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 ≤ 51.25
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

4-(2,5-dihydro-1H-pyrrol-1-yl)piperidine
CID 54595885
1-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine
CID 86804399
(1Z,3Z)-2-fluoro-N'-methyl-N-piperidin-4-ylpenta-1,3-diene-1,5-diamine
CID 156450873
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755088
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226114
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutan-2-yl)piperidin-4-amine
CID 103782629
N-(3-methylbut-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 113825715
N-(2,2-difluoroethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 115405685
1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine
CID 115516869

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine (CID 107898566) is 1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine is C/C=C/CN1CCC(NC)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine?
The InChIKey is SCJHHNKOVWSXDH-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-7-12-8-5-10(11-2)6-9-12/h3-4,10-11H,5-9H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine?
1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 107898566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).