4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine

C16H28N4O — CID 51354588

IUPAC4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine
SMILESc1c(CC2CCCCC2)nnn1CCCN1CCOCC1
InChIInChI=1S/C16H28N4O/c1-2-5-15(6-3-1)13-16-14-20(18-17-16)8-4-7-19-9-11-21-12-10-19/h14-15H,1-13H2
InChIKeyPAQXZRYCWAAJQS-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.12
Rot. Bonds6

About 4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine

4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine (PubChem CID 51354588) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine
PubChem CID51354588
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine
SMILESc1c(CC2CCCCC2)nnn1CCCN1CCOCC1
InChIInChI=1S/C16H28N4O/c1-2-5-15(6-3-1)13-16-14-20(18-17-16)8-4-7-19-9-11-21-12-10-19/h14-15H,1-13H2
InChIKeyPAQXZRYCWAAJQS-UHFFFAOYSA-N
XLogP2.12
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine (CID 51354588) is 4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine is c1c(CC2CCCCC2)nnn1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine?
The InChIKey is PAQXZRYCWAAJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-5-15(6-3-1)13-16-14-20(18-17-16)8-4-7-19-9-11-21-12-10-19/h14-15H,1-13H2.
What are the key properties of 4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine?
4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine has a molecular weight of 292.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]morpholine is sourced from PubChem (CID 51354588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).