N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine

C12H22N4 — CID 66117964

IUPACN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2cncn2C)CC1
InChIInChI=1S/C12H22N4/c1-13-7-11-3-5-16(6-4-11)9-12-8-14-10-15(12)2/h8,10-11,13H,3-7,9H2,1-2H3
InChIKeyRVDCYUFPYPJDTG-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.85
Rot. Bonds4

About N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine

N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 66117964) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine
PubChem CID66117964
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2cncn2C)CC1
InChIInChI=1S/C12H22N4/c1-13-7-11-3-5-16(6-4-11)9-12-8-14-10-15(12)2/h8,10-11,13H,3-7,9H2,1-2H3
InChIKeyRVDCYUFPYPJDTG-UHFFFAOYSA-N
XLogP0.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol
CID 66141579
1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine
CID 131703561
N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 66164216
1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 66118605
N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine
CID 124682664
N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 66154550
1-[(3-methylimidazol-4-yl)methyl]azetidin-3-ol
CID 66141587
1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]piperidine-4-carboxylic acid
CID 77085342
4-[(3-methylimidazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621945
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 66119014
(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
CID 103885858
N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 120838868

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine (CID 66117964) is N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine is CNCC1CCN(Cc2cncn2C)CC1.
What is the InChIKey of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine?
The InChIKey is RVDCYUFPYPJDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-13-7-11-3-5-16(6-4-11)9-12-8-14-10-15(12)2/h8,10-11,13H,3-7,9H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine?
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 66117964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).