N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine

C12H22N4 — CID 63109190

IUPACN-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCCC2)[nH]1
InChIInChI=1S/C12H22N4/c1-2-6-13-9-11-10-14-12(15-11)16-7-4-3-5-8-16/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyQHGLRTLIXIHVGP-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.90
Rot. Bonds5

About N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine

N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine (PubChem CID 63109190) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine
PubChem CID63109190
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCCC2)[nH]1
InChIInChI=1S/C12H22N4/c1-2-6-13-9-11-10-14-12(15-11)16-7-4-3-5-8-16/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyQHGLRTLIXIHVGP-UHFFFAOYSA-N
XLogP1.90
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55177285
N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63108587
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55178060
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
N-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629285
N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81248493
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62743808
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
N-[(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 114215762
N-[[2-(2-chlorophenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109257
N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62284754
2-(azepan-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475069

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine (CID 63109190) is N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine is CCCNCc1cnc(N2CCCCC2)[nH]1.
What is the InChIKey of N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine?
The InChIKey is QHGLRTLIXIHVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-6-13-9-11-10-14-12(15-11)16-7-4-3-5-8-16/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine?
N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 63109190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).