4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine

C13H24N4 — CID 80555259

IUPAC4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine
SMILESc1cn(CCCCNCC2CCCNC2)cn1
InChIInChI=1S/C13H24N4/c1(2-8-17-9-7-16-12-17)5-14-10-13-4-3-6-15-11-13/h7,9,12-15H,1-6,8,10-11H2
InChIKeyAWFMSNBNNRHXBJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.25
Rot. Bonds7

About 4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine

4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine (PubChem CID 80555259) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine
PubChem CID80555259
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine
SMILESc1cn(CCCCNCC2CCCNC2)cn1
InChIInChI=1S/C13H24N4/c1(2-8-17-9-7-16-12-17)5-14-10-13-4-3-6-15-11-13/h7,9,12-15H,1-6,8,10-11H2
InChIKeyAWFMSNBNNRHXBJ-UHFFFAOYSA-N
XLogP1.25
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-imidazol-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 80555335
N-(4-imidazol-1-ylbutyl)-2-piperidin-3-ylacetamide
CID 62691425
N-[(3-chlorocyclohexyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 106122739
1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol
CID 103157604
N-[(3,3-difluorocyclopentyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 114223797
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924
N-ethyl-3-imidazol-1-yl-N-(piperidin-3-ylmethyl)propanamide
CID 106629654
3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106637470
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropanamide
CID 106629196
N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine
CID 5232197
1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole
CID 114796227

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine?
The IUPAC name of 4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine (CID 80555259) is 4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine?
The canonical SMILES for 4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine is c1cn(CCCCNCC2CCCNC2)cn1.
What is the InChIKey of 4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine?
The InChIKey is AWFMSNBNNRHXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1(2-8-17-9-7-16-12-17)5-14-10-13-4-3-6-15-11-13/h7,9,12-15H,1-6,8,10-11H2.
What are the key properties of 4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine?
4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 80555259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).