1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine

C17H26N6 — CID 3210459

IUPAC1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
SMILESCCC(c1nnnn1CCc1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C17H26N6/c1-3-16(22-13-11-21(2)12-14-22)17-18-19-20-23(17)10-9-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3
InChIKeyYDSDBVKCKYQMRK-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.61
Rot. Bonds6

About 1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine

1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine (PubChem CID 3210459) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
PubChem CID3210459
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
SMILESCCC(c1nnnn1CCc1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C17H26N6/c1-3-16(22-13-11-21(2)12-14-22)17-18-19-20-23(17)10-9-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3
InChIKeyYDSDBVKCKYQMRK-UHFFFAOYSA-N
XLogP1.61
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
1-(2-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210461
1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 171668554
1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
CID 3210464
1-[(R)-(2-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1449183
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058
1-[(S)-(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 7206217
1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
CID 3210562
1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride
CID 171668375
1-[(4-ethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 175654297
1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 1448978
1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine
CID 7397380

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine (CID 3210459) is 1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine is CCC(c1nnnn1CCc1ccccc1)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine?
The InChIKey is YDSDBVKCKYQMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-3-16(22-13-11-21(2)12-14-22)17-18-19-20-23(17)10-9-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3.
What are the key properties of 1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine?
1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine has a molecular weight of 314.44 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine is sourced from PubChem (CID 3210459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).