1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine

C10H18N4 — CID 23084228

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
SMILESCc1[nH]cnc1CN1CCC(N)CC1
InChIInChI=1S/C10H18N4/c1-8-10(13-7-12-8)6-14-4-2-9(11)3-5-14/h7,9H,2-6,11H2,1H3,(H,12,13)
InChIKeyAQCOIWGWWZFIND-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.64
Rot. Bonds2

About 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine

1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 23084228) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
PubChem CID23084228
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
SMILESCc1[nH]cnc1CN1CCC(N)CC1
InChIInChI=1S/C10H18N4/c1-8-10(13-7-12-8)6-14-4-2-9(11)3-5-14/h7,9H,2-6,11H2,1H3,(H,12,13)
InChIKeyAQCOIWGWWZFIND-UHFFFAOYSA-N
XLogP0.64
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Butyladenine
CID 135435069
N3-Metyladenine
CID 440553
1-Methyl-9H-purin-6-ylamine
CID 13908780
3H-Purin-6-amine, 3-pentyl-
CID 135435070
(5-methyl-1H-imidazol-4-yl)methanamine dihydrochloride
CID 20393968
3-Hexylpurin-6-amine
CID 135435071
3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride
CID 136609994
1-[(1H-Imidazol-4-yl)methyl]piperazine
CID 9793928
1-(5-methyl-1H-imidazol-4-yl)methanamine hydrochloride
CID 56773750
2-Amino-1-methylpurine
CID 466062
1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
1-[(4-methyl-1H-imidazol-5-yl)methyl]azocane
CID 6456284

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine (CID 23084228) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine is Cc1[nH]cnc1CN1CCC(N)CC1.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is AQCOIWGWWZFIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-10(13-7-12-8)6-14-4-2-9(11)3-5-14/h7,9H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 194.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 23084228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).