4-(1H-imidazol-5-ylmethyl)piperidine

C9H15N3 — CID 3035842

IUPAC4-(1H-imidazol-5-ylmethyl)piperidine
SMILESc1ncc(CC2CCNCC2)[nH]1
InChIInChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
InChIKeyMCNGUYXRBCIGOV-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.95
Rot. Bonds2

About 4-(1H-imidazol-5-ylmethyl)piperidine

4-(1H-imidazol-5-ylmethyl)piperidine (PubChem CID 3035842) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)piperidine
PubChem CID3035842
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(1H-imidazol-5-ylmethyl)piperidine
SMILESc1ncc(CC2CCNCC2)[nH]1
InChIInChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
InChIKeyMCNGUYXRBCIGOV-UHFFFAOYSA-N
XLogP0.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)piperidine (CID 3035842) is 4-(1H-imidazol-5-ylmethyl)piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)piperidine is c1ncc(CC2CCNCC2)[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)piperidine?
The InChIKey is MCNGUYXRBCIGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)piperidine?
4-(1H-imidazol-5-ylmethyl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)piperidine is sourced from PubChem (CID 3035842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).