3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine

C12H22N4 — CID 116876953

IUPAC3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCN1CCC(c2cnc(CCCN)[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-16-7-4-10(5-8-16)11-9-14-12(15-11)3-2-6-13/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyPMFHMXNAEJVARA-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.11
Rot. Bonds4

About 3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine

3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116876953) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116876953
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCN1CCC(c2cnc(CCCN)[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-16-7-4-10(5-8-16)11-9-14-12(15-11)3-2-6-13/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyPMFHMXNAEJVARA-UHFFFAOYSA-N
XLogP1.11
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine
CID 116877125
ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
CID 144594096
1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine
CID 116877683
(5-cyclopropyl-1H-imidazol-2-yl)methanamine
CID 84648312
(E)-3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]prop-2-enoic acid
CID 116881017
1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine
CID 116876745
2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol
CID 116881626
(5-cyclopropyl-1H-imidazol-2-yl)methanol
CID 105427977
3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine
CID 84658193
N-methyl-1-[1-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882213
2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol
CID 116879366
3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884746

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine (CID 116876953) is 3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine is CN1CCC(c2cnc(CCCN)[nH]2)CC1.
What is the InChIKey of 3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is PMFHMXNAEJVARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-16-7-4-10(5-8-16)11-9-14-12(15-11)3-2-6-13/h9-10H,2-8,13H2,1H3,(H,14,15).
What are the key properties of 3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine?
3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116876953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).