1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride

C17H27ClN6 — CID 171668375

IUPAC1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride
SMILESCCC(c1nnnn1Cc1ccccc1)N1CCN(CC)CC1.Cl
InChIInChI=1S/C17H26N6.ClH/c1-3-16(22-12-10-21(4-2)11-13-22)17-18-19-20-23(17)14-15-8-6-5-7-9-15;/h5-9,16H,3-4,10-14H2,1-2H3;1H
InChIKeyWYKKDNKEXHIORQ-UHFFFAOYSA-N
MW350.90 g/mol
LogP2.23
Rot. Bonds6

About 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride

1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride (PubChem CID 171668375) has the molecular formula C17H27ClN6 and a molecular weight of 350.90 g/mol. Its IUPAC name is 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride
PubChem CID171668375
Molecular FormulaC17H27ClN6
Molecular Weight350.90 g/mol
Exact Mass350.20
IUPAC Name1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride
SMILESCCC(c1nnnn1Cc1ccccc1)N1CCN(CC)CC1.Cl
InChIInChI=1S/C17H26N6.ClH/c1-3-16(22-12-10-21(4-2)11-13-22)17-18-19-20-23(17)14-15-8-6-5-7-9-15;/h5-9,16H,3-4,10-14H2,1-2H3;1H
InChIKeyWYKKDNKEXHIORQ-UHFFFAOYSA-N
XLogP2.23
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.90
LogP ≤ 52.23
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-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 855392
1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
CID 51685867
1-[(1S)-1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]propyl]-4-ethylpiperazine
CID 1447418
1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride
CID 171668184
1-[1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]propyl]-4-ethylpiperazine chloride
CID 53350700
1-ethyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 171669823
1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
CID 43812335
[4-[(1S)-1-(1-benzyltetrazol-5-yl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1445983
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387
1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210459
1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine
CID 7396399

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride?
The IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride (CID 171668375) is 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride?
The canonical SMILES for 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride is CCC(c1nnnn1Cc1ccccc1)N1CCN(CC)CC1.Cl.
What is the InChIKey of 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride?
The InChIKey is WYKKDNKEXHIORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6.ClH/c1-3-16(22-12-10-21(4-2)11-13-22)17-18-19-20-23(17)14-15-8-6-5-7-9-15;/h5-9,16H,3-4,10-14H2,1-2H3;1H.
What are the key properties of 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride?
1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride has a molecular weight of 350.90 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride is sourced from PubChem (CID 171668375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).