2-[(1-methylimidazol-4-yl)methyl]piperidine

C10H17N3 — CID 130509272

IUPAC2-[(1-methylimidazol-4-yl)methyl]piperidine
SMILESCn1cnc(CC2CCCCN2)c1
InChIInChI=1S/C10H17N3/c1-13-7-10(12-8-13)6-9-4-2-3-5-11-9/h7-9,11H,2-6H2,1H3
InChIKeyLLKCRTXVDOWEGI-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.10
Rot. Bonds2

About 2-[(1-methylimidazol-4-yl)methyl]piperidine

2-[(1-methylimidazol-4-yl)methyl]piperidine (PubChem CID 130509272) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-[(1-methylimidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(1-methylimidazol-4-yl)methyl]piperidine
PubChem CID130509272
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-[(1-methylimidazol-4-yl)methyl]piperidine
SMILESCn1cnc(CC2CCCCN2)c1
InChIInChI=1S/C10H17N3/c1-13-7-10(12-8-13)6-9-4-2-3-5-11-9/h7-9,11H,2-6H2,1H3
InChIKeyLLKCRTXVDOWEGI-UHFFFAOYSA-N
XLogP1.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329
2-[(1-ethyltriazol-4-yl)methyl]piperidine
CID 115020003
8-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine
CID 58525287
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 62541638
7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine
CID 66650352
N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide
CID 107973687
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
CID 114662235
2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 115031695
4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole
CID 84734264

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-4-yl)methyl]piperidine?
The IUPAC name of 2-[(1-methylimidazol-4-yl)methyl]piperidine (CID 130509272) is 2-[(1-methylimidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 2-[(1-methylimidazol-4-yl)methyl]piperidine?
The canonical SMILES for 2-[(1-methylimidazol-4-yl)methyl]piperidine is Cn1cnc(CC2CCCCN2)c1.
What is the InChIKey of 2-[(1-methylimidazol-4-yl)methyl]piperidine?
The InChIKey is LLKCRTXVDOWEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-7-10(12-8-13)6-9-4-2-3-5-11-9/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-[(1-methylimidazol-4-yl)methyl]piperidine?
2-[(1-methylimidazol-4-yl)methyl]piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 130509272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).