1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine

C12H22N4O — CID 55252136

IUPAC1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine
SMILESCn1ccnc1NCCCOC1CCNCC1
InChIInChI=1S/C12H22N4O/c1-16-9-8-15-12(16)14-5-2-10-17-11-3-6-13-7-4-11/h8-9,11,13H,2-7,10H2,1H3,(H,14,15)
InChIKeySIVCQNPQMVOMHM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.99
Rot. Bonds6

About 1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine

1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine (PubChem CID 55252136) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine
PubChem CID55252136
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine
SMILESCn1ccnc1NCCCOC1CCNCC1
InChIInChI=1S/C12H22N4O/c1-16-9-8-15-12(16)14-5-2-10-17-11-3-6-13-7-4-11/h8-9,11,13H,2-7,10H2,1H3,(H,14,15)
InChIKeySIVCQNPQMVOMHM-UHFFFAOYSA-N
XLogP0.99
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium
CID 78225999
N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
CID 71894042
1-[2-(1-Methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 75451372
N-cyclopentyl-N'-(2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}ethyl)urea
CID 56742077
({4-[(1-isopropyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}methyl)amine
CID 56752745
1-[4-[[(1-Ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779882
(3S*,4R*)-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-3-methoxypiperidin-4-amine
CID 56865631
[(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-piperidinyl)methyl]methylamine dihydrochloride
CID 74247070
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 124616644
3-[(2S)-2-ethoxybutyl]-1-(2-imidazol-1-ylethyl)-1-methylurea
CID 125527584
1-(1-Methyl-1H-imidazol-2-yl)-4-piperidinamine
CID 62131475
3-[1-(1-Ethyl-3-methylimidazol-3-ium-2-yl)piperidin-1-ium-1-yl]propan-1-ol
CID 91217395

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine (CID 55252136) is 1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine is Cn1ccnc1NCCCOC1CCNCC1.
What is the InChIKey of 1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine?
The InChIKey is SIVCQNPQMVOMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-16-9-8-15-12(16)14-5-2-10-17-11-3-6-13-7-4-11/h8-9,11,13H,2-7,10H2,1H3,(H,14,15).
What are the key properties of 1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine?
1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-piperidin-4-yloxypropyl)imidazol-2-amine is sourced from PubChem (CID 55252136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).