1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol

C19H29N5O — CID 46863385

IUPAC1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol
SMILESCCCCC(O)Cn1cc(CN2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C19H29N5O/c1-2-3-9-19(25)16-24-15-17(20-21-24)14-22-10-12-23(13-11-22)18-7-5-4-6-8-18/h4-8,15,19,25H,2-3,9-14,16H2,1H3
InChIKeyFZJPNJUPHFTSJC-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.15
Rot. Bonds8

About 1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol

1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol (PubChem CID 46863385) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol.

Molecular Properties

Compound Name1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol
PubChem CID46863385
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol
SMILESCCCCC(O)Cn1cc(CN2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C19H29N5O/c1-2-3-9-19(25)16-24-15-17(20-21-24)14-22-10-12-23(13-11-22)18-7-5-4-6-8-18/h4-8,15,19,25H,2-3,9-14,16H2,1H3
InChIKeyFZJPNJUPHFTSJC-UHFFFAOYSA-N
XLogP2.15
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol?
The IUPAC name of 1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol (CID 46863385) is 1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol.
What is the SMILES notation for 1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol?
The canonical SMILES for 1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol is CCCCC(O)Cn1cc(CN2CCN(c3ccccc3)CC2)nn1.
What is the InChIKey of 1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol?
The InChIKey is FZJPNJUPHFTSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-2-3-9-19(25)16-24-15-17(20-21-24)14-22-10-12-23(13-11-22)18-7-5-4-6-8-18/h4-8,15,19,25H,2-3,9-14,16H2,1H3.
What are the key properties of 1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol?
1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol has a molecular weight of 343.48 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol is sourced from PubChem (CID 46863385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).