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

C17H33N3O — CID 43769519

IUPAC1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C17H33N3O/c1-16(2)4-9-20-10-5-17(6-11-20)18-7-3-8-19-12-14-21-15-13-19/h4,17-18H,3,5-15H2,1-2H3
InChIKeyAPLSKLQSSHUOMV-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.73
Rot. Bonds7

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

1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine (PubChem CID 43769519) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
PubChem CID43769519
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C17H33N3O/c1-16(2)4-9-20-10-5-17(6-11-20)18-7-3-8-19-12-14-21-15-13-19/h4,17-18H,3,5-15H2,1-2H3
InChIKeyAPLSKLQSSHUOMV-UHFFFAOYSA-N
XLogP1.73
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 63828182
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103082726
4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine
CID 18547063
4-[(Z)-2-(piperidin-1-ylmethyl)but-2-enyl]morpholine
CID 18547163
4-[2-(Piperazin-1-ylmethyl)but-2-enyl]morpholine
CID 70024960
4-[2-(Piperidin-1-ylmethyl)but-2-enyl]morpholine
CID 70025232
N,N-dimethylethanamine;4-piperidin-4-ylmorpholine;propane
CID 142549018
4-Piperidin-4-ylmorpholine;prop-1-ene
CID 153630611
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 43764214
N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine (CID 43769519) is 1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine is CC(C)=CCN1CCC(NCCCN2CCOCC2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
The InChIKey is APLSKLQSSHUOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-16(2)4-9-20-10-5-17(6-11-20)18-7-3-8-19-12-14-21-15-13-19/h4,17-18H,3,5-15H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine has a molecular weight of 295.47 g/mol, XLogP of 1.73, 7 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-(3-morpholin-4-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 43769519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).