1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine

C23H30N6 — CID 3209635

IUPAC1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
SMILESCCCC(c1nnnn1Cc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N6/c1-2-9-22(23-24-25-26-29(23)19-21-12-7-4-8-13-21)28-16-14-27(15-17-28)18-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3
InChIKeyYKMICDJIHSNEID-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.38
Rot. Bonds8

About 1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine

1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine (PubChem CID 3209635) has the molecular formula C23H30N6 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
PubChem CID3209635
Molecular FormulaC23H30N6
Molecular Weight390.53 g/mol
Exact Mass390.25
IUPAC Name1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
SMILESCCCC(c1nnnn1Cc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N6/c1-2-9-22(23-24-25-26-29(23)19-21-12-7-4-8-13-21)28-16-14-27(15-17-28)18-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3
InChIKeyYKMICDJIHSNEID-UHFFFAOYSA-N
XLogP3.38
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
CID 43812335
1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
CID 51625966
1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine
CID 1443719
1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride
CID 171668375
1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride
CID 53314022
1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
CID 653622
2-[4-[(1S)-1-(1-benzyltetrazol-5-yl)butyl]piperazin-1-yl]-1,3-benzothiazole
CID 1455826
1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine
CID 7389173
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 3209730
[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7396290
1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1446160
1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride
CID 171668184

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine?
The IUPAC name of 1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine (CID 3209635) is 1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine?
The canonical SMILES for 1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine is CCCC(c1nnnn1Cc1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine?
The InChIKey is YKMICDJIHSNEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-2-9-22(23-24-25-26-29(23)19-21-12-7-4-8-13-21)28-16-14-27(15-17-28)18-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3.
What are the key properties of 1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine?
1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine has a molecular weight of 390.53 g/mol, XLogP of 3.38, 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-benzyltetrazol-5-yl)butyl]piperazine is sourced from PubChem (CID 3209635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).