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

C17H30N4 — CID 51354871

IUPAC1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine
SMILESc1c(CC2CCCCC2)nnn1CCCN1CCCCC1
InChIInChI=1S/C17H30N4/c1-3-8-16(9-4-1)14-17-15-21(19-18-17)13-7-12-20-10-5-2-6-11-20/h15-16H,1-14H2
InChIKeyOYMQULTUNYMDLK-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.28
Rot. Bonds6

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

1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine (PubChem CID 51354871) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine
PubChem CID51354871
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine
SMILESc1c(CC2CCCCC2)nnn1CCCN1CCCCC1
InChIInChI=1S/C17H30N4/c1-3-8-16(9-4-1)14-17-15-21(19-18-17)13-7-12-20-10-5-2-6-11-20/h15-16H,1-14H2
InChIKeyOYMQULTUNYMDLK-UHFFFAOYSA-N
XLogP3.28
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine?
The IUPAC name of 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine (CID 51354871) is 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine is c1c(CC2CCCCC2)nnn1CCCN1CCCCC1.
What is the InChIKey of 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine?
The InChIKey is OYMQULTUNYMDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-3-8-16(9-4-1)14-17-15-21(19-18-17)13-7-12-20-10-5-2-6-11-20/h15-16H,1-14H2.
What are the key properties of 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine?
1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine has a molecular weight of 290.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclohexylmethyl)triazol-1-yl]propyl]piperidine is sourced from PubChem (CID 51354871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).