1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine

C21H30N4 — CID 122205099

IUPAC1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine
SMILESCC1CCN(C2(c3cn(Cc4ccccc4)nn3)CCCCC2)CC1
InChIInChI=1S/C21H30N4/c1-18-10-14-24(15-11-18)21(12-6-3-7-13-21)20-17-25(23-22-20)16-19-8-4-2-5-9-19/h2,4-5,8-9,17-18H,3,6-7,10-16H2,1H3
InChIKeyNBUWURDVJVGQKJ-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.22
Rot. Bonds4

About 1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine

1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine (PubChem CID 122205099) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine
PubChem CID122205099
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine
SMILESCC1CCN(C2(c3cn(Cc4ccccc4)nn3)CCCCC2)CC1
InChIInChI=1S/C21H30N4/c1-18-10-14-24(15-11-18)21(12-6-3-7-13-21)20-17-25(23-22-20)16-19-8-4-2-5-9-19/h2,4-5,8-9,17-18H,3,6-7,10-16H2,1H3
InChIKeyNBUWURDVJVGQKJ-UHFFFAOYSA-N
XLogP4.22
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine?
The IUPAC name of 1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine (CID 122205099) is 1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine is CC1CCN(C2(c3cn(Cc4ccccc4)nn3)CCCCC2)CC1.
What is the InChIKey of 1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine?
The InChIKey is NBUWURDVJVGQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-18-10-14-24(15-11-18)21(12-6-3-7-13-21)20-17-25(23-22-20)16-19-8-4-2-5-9-19/h2,4-5,8-9,17-18H,3,6-7,10-16H2,1H3.
What are the key properties of 1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine?
1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine has a molecular weight of 338.50 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzyltriazol-4-yl)cyclohexyl]-4-methylpiperidine is sourced from PubChem (CID 122205099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).