1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine

C16H31N3O — CID 43764214

IUPAC1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCN2CCOCC2)CC1
InChIInChI=1S/C16H31N3O/c1-15(2)3-7-18-8-4-16(5-9-18)17-6-10-19-11-13-20-14-12-19/h3,16-17H,4-14H2,1-2H3
InChIKeyMDIONMGGYBYPBF-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.34
Rot. Bonds6

About 1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine (PubChem CID 43764214) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
PubChem CID43764214
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCN2CCOCC2)CC1
InChIInChI=1S/C16H31N3O/c1-15(2)3-7-18-8-4-16(5-9-18)17-6-10-19-11-13-20-14-12-19/h3,16-17H,4-14H2,1-2H3
InChIKeyMDIONMGGYBYPBF-UHFFFAOYSA-N
XLogP1.34
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine 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

N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
N-methyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 60819990
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
CID 103922270
N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
CID 62987458
N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 61016051
methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
CID 43774735
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103779857
3-methyl-N-(2-morpholin-4-ylethyl)cyclopentan-1-amine
CID 23767314

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine (CID 43764214) is 1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine is CC(C)=CCN1CCC(NCCN2CCOCC2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The InChIKey is MDIONMGGYBYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-15(2)3-7-18-8-4-16(5-9-18)17-6-10-19-11-13-20-14-12-19/h3,16-17H,4-14H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine has a molecular weight of 281.44 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 43764214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).