1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine

C16H24N6 — CID 50965439

IUPAC1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCCC(CC)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C16H24N6/c1-3-14(4-2)20-10-12-21(13-11-20)16-17-18-19-22(16)15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyGHJAUDRDLTVFTN-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.97
Rot. Bonds5

About 1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine

1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 50965439) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID50965439
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCCC(CC)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C16H24N6/c1-3-14(4-2)20-10-12-21(13-11-20)16-17-18-19-22(16)15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyGHJAUDRDLTVFTN-UHFFFAOYSA-N
XLogP1.97
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;methane;tris(1-(1-phenyltetrazol-5-yl)-4-propan-2-ylpiperazine);tris(1,1,1-trideuterioethane)
CID 162039612
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 133271987
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 9311510
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol
CID 63309679
1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 133458550
N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 62423101

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine (CID 50965439) is 1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine is CCC(CC)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is GHJAUDRDLTVFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-3-14(4-2)20-10-12-21(13-11-20)16-17-18-19-22(16)15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3.
What are the key properties of 1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine?
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 300.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 50965439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).