4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine

C19H33N5 — CID 46995422

IUPAC4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine
SMILESCCCN1CCC(N2CCC(Cn3cc(C4CC4)nn3)CC2)CC1
InChIInChI=1S/C19H33N5/c1-2-9-22-10-7-18(8-11-22)23-12-5-16(6-13-23)14-24-15-19(20-21-24)17-3-4-17/h15-18H,2-14H2,1H3
InChIKeyKNEAYRICXCFEIB-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.74
Rot. Bonds6

About 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine

4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine (PubChem CID 46995422) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine
PubChem CID46995422
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine
SMILESCCCN1CCC(N2CCC(Cn3cc(C4CC4)nn3)CC2)CC1
InChIInChI=1S/C19H33N5/c1-2-9-22-10-7-18(8-11-22)23-12-5-16(6-13-23)14-24-15-19(20-21-24)17-3-4-17/h15-18H,2-14H2,1H3
InChIKeyKNEAYRICXCFEIB-UHFFFAOYSA-N
XLogP2.74
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine?
The IUPAC name of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine (CID 46995422) is 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine.
What is the SMILES notation for 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine?
The canonical SMILES for 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine is CCCN1CCC(N2CCC(Cn3cc(C4CC4)nn3)CC2)CC1.
What is the InChIKey of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine?
The InChIKey is KNEAYRICXCFEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-2-9-22-10-7-18(8-11-22)23-12-5-16(6-13-23)14-24-15-19(20-21-24)17-3-4-17/h15-18H,2-14H2,1H3.
What are the key properties of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine?
4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine has a molecular weight of 331.51 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(1-propylpiperidin-4-yl)piperidine is sourced from PubChem (CID 46995422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).