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

C10H17N3 — CID 13306720

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
SMILESCc1[nH]cnc1CN1CCCCC1
InChIInChI=1S/C10H17N3/c1-9-10(12-8-11-9)7-13-5-3-2-4-6-13/h8H,2-7H2,1H3,(H,11,12)
InChIKeyOXPFWTHSDWUOEZ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.70
Rot. Bonds2

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

1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine (PubChem CID 13306720) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
PubChem CID13306720
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
SMILESCc1[nH]cnc1CN1CCCCC1
InChIInChI=1S/C10H17N3/c1-9-10(12-8-11-9)7-13-5-3-2-4-6-13/h8H,2-7H2,1H3,(H,11,12)
InChIKeyOXPFWTHSDWUOEZ-UHFFFAOYSA-N
XLogP1.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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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
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Spinaceamine
CID 410112
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]piperidine?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine (CID 13306720) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine is Cc1[nH]cnc1CN1CCCCC1.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
The InChIKey is OXPFWTHSDWUOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-10(12-8-11-9)7-13-5-3-2-4-6-13/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 13306720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).