1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol

C19H35N5O — CID 46982439

IUPAC1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCCCN1CCC(N2CCC(Cn3cc(CC(C)O)nn3)CC2)CC1
InChIInChI=1S/C19H35N5O/c1-3-8-22-9-6-19(7-10-22)23-11-4-17(5-12-23)14-24-15-18(20-21-24)13-16(2)25/h15-17,19,25H,3-14H2,1-2H3
InChIKeyYMNZIWCRLNVUDU-UHFFFAOYSA-N
MW349.52 g/mol
LogP1.79
Rot. Bonds7

About 1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol

1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol (PubChem CID 46982439) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
PubChem CID46982439
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCCCN1CCC(N2CCC(Cn3cc(CC(C)O)nn3)CC2)CC1
InChIInChI=1S/C19H35N5O/c1-3-8-22-9-6-19(7-10-22)23-11-4-17(5-12-23)14-24-15-18(20-21-24)13-16(2)25/h15-17,19,25H,3-14H2,1-2H3
InChIKeyYMNZIWCRLNVUDU-UHFFFAOYSA-N
XLogP1.79
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol (CID 46982439) is 1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol is CCCN1CCC(N2CCC(Cn3cc(CC(C)O)nn3)CC2)CC1.
What is the InChIKey of 1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The InChIKey is YMNZIWCRLNVUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O/c1-3-8-22-9-6-19(7-10-22)23-11-4-17(5-12-23)14-24-15-18(20-21-24)13-16(2)25/h15-17,19,25H,3-14H2,1-2H3.
What are the key properties of 1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol has a molecular weight of 349.52 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(1-propylpiperidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 46982439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).