(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol

C14H20N6O — CID 133499657

IUPAC(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H20N6O/c1-12(21)11-18-7-9-19(10-8-18)14-15-16-17-20(14)13-5-3-2-4-6-13/h2-6,12,21H,7-11H2,1H3/t12-/m1/s1
InChIKeyGPXKFCMQNMLCDC-GFCCVEGCSA-N
MW288.35 g/mol
LogP0.17
Rot. Bonds4

About (2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol

(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133499657) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is (2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
PubChem CID133499657
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H20N6O/c1-12(21)11-18-7-9-19(10-8-18)14-15-16-17-20(14)13-5-3-2-4-6-13/h2-6,12,21H,7-11H2,1H3/t12-/m1/s1
InChIKeyGPXKFCMQNMLCDC-GFCCVEGCSA-N
XLogP0.17
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol
CID 63309679
ethane;methane;tris(1-(1-phenyltetrazol-5-yl)-4-propan-2-ylpiperazine);tris(1,1,1-trideuterioethane)
CID 162039612
1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 45199817
1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 133271987
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628304
N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 26041068
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol (CID 133499657) is (2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of (2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is GPXKFCMQNMLCDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N6O/c1-12(21)11-18-7-9-19(10-8-18)14-15-16-17-20(14)13-5-3-2-4-6-13/h2-6,12,21H,7-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol?
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 288.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133499657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).