(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol

C16H23N5O — CID 95610792

IUPAC(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(Cc2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C16H23N5O/c1-14(22)11-19-7-9-20(10-8-19)12-15-13-21(18-17-15)16-5-3-2-4-6-16/h2-6,13-14,22H,7-12H2,1H3/t14-/m1/s1
InChIKeyMVAPTCNHKDOYNJ-CQSZACIVSA-N
MW301.39 g/mol
LogP0.77
Rot. Bonds5

About (2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol

(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 95610792) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID95610792
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(Cc2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C16H23N5O/c1-14(22)11-19-7-9-20(10-8-19)12-15-13-21(18-17-15)16-5-3-2-4-6-16/h2-6,13-14,22H,7-12H2,1H3/t14-/m1/s1
InChIKeyMVAPTCNHKDOYNJ-CQSZACIVSA-N
XLogP0.77
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (CID 95610792) is (2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(Cc2cn(-c3ccccc3)nn2)CC1.
What is the InChIKey of (2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is MVAPTCNHKDOYNJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O/c1-14(22)11-19-7-9-20(10-8-19)12-15-13-21(18-17-15)16-5-3-2-4-6-16/h2-6,13-14,22H,7-12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95610792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).