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

C15H25N3 — CID 11395725

IUPAC1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine
SMILESc1ncc(CC2CCN(C3CCCCC3)CC2)[nH]1
InChIInChI=1S/C15H25N3/c1-2-4-15(5-3-1)18-8-6-13(7-9-18)10-14-11-16-12-17-14/h11-13,15H,1-10H2,(H,16,17)
InChIKeyWAOQTMYPIGWOBD-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.00
Rot. Bonds3

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

1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine (PubChem CID 11395725) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine
PubChem CID11395725
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine
SMILESc1ncc(CC2CCN(C3CCCCC3)CC2)[nH]1
InChIInChI=1S/C15H25N3/c1-2-4-15(5-3-1)18-8-6-13(7-9-18)10-14-11-16-12-17-14/h11-13,15H,1-10H2,(H,16,17)
InChIKeyWAOQTMYPIGWOBD-UHFFFAOYSA-N
XLogP3.00
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine?
The IUPAC name of 1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine (CID 11395725) is 1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine.
What is the SMILES notation for 1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine?
The canonical SMILES for 1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine is c1ncc(CC2CCN(C3CCCCC3)CC2)[nH]1.
What is the InChIKey of 1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine?
The InChIKey is WAOQTMYPIGWOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-4-15(5-3-1)18-8-6-13(7-9-18)10-14-11-16-12-17-14/h11-13,15H,1-10H2,(H,16,17).
What are the key properties of 1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine?
1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine has a molecular weight of 247.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine is sourced from PubChem (CID 11395725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).