1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine

C23H29FN6 — CID 43812335

IUPAC1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29FN6/c1-2-6-22(23-25-26-27-30(23)18-20-9-11-21(24)12-10-20)29-15-13-28(14-16-29)17-19-7-4-3-5-8-19/h3-5,7-12,22H,2,6,13-18H2,1H3
InChIKeyHVUBLPNKMFODDG-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.52
Rot. Bonds8

About 1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine

1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine (PubChem CID 43812335) has the molecular formula C23H29FN6 and a molecular weight of 408.53 g/mol. Its IUPAC name is 1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
PubChem CID43812335
Molecular FormulaC23H29FN6
Molecular Weight408.53 g/mol
Exact Mass408.24
IUPAC Name1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29FN6/c1-2-6-22(23-25-26-27-30(23)18-20-9-11-21(24)12-10-20)29-15-13-28(14-16-29)17-19-7-4-3-5-8-19/h3-5,7-12,22H,2,6,13-18H2,1H3
InChIKeyHVUBLPNKMFODDG-UHFFFAOYSA-N
XLogP3.52
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
CID 51625966
[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209780
1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine
CID 1443719
1-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-(4-methoxyphenyl)piperazine
CID 1446454
1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride
CID 171668375
1-ethyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 171669823
1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride
CID 53314022
1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine
CID 7389173
1-(2-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3209776
1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
CID 653622
1-(4-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3675225

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine (CID 43812335) is 1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine?
The InChIKey is HVUBLPNKMFODDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6/c1-2-6-22(23-25-26-27-30(23)18-20-9-11-21(24)12-10-20)29-15-13-28(14-16-29)17-19-7-4-3-5-8-19/h3-5,7-12,22H,2,6,13-18H2,1H3.
What are the key properties of 1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine?
1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine has a molecular weight of 408.53 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 43812335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).