1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine

C15H24N6O — CID 855392

IUPAC1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
SMILESCC[C@H](c1nnnn1Cc1ccco1)N1CCN(CC)CC1
InChIInChI=1S/C15H24N6O/c1-3-14(20-9-7-19(4-2)8-10-20)15-16-17-18-21(15)12-13-6-5-11-22-13/h5-6,11,14H,3-4,7-10,12H2,1-2H3/t14-/m1/s1
InChIKeyOWODUXOQNXXCFI-CQSZACIVSA-N
MW304.40 g/mol
LogP1.40
Rot. Bonds6

About 1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine

1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine (PubChem CID 855392) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
PubChem CID855392
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
SMILESCC[C@H](c1nnnn1Cc1ccco1)N1CCN(CC)CC1
InChIInChI=1S/C15H24N6O/c1-3-14(20-9-7-19(4-2)8-10-20)15-16-17-18-21(15)12-13-6-5-11-22-13/h5-6,11,14H,3-4,7-10,12H2,1-2H3/t14-/m1/s1
InChIKeyOWODUXOQNXXCFI-CQSZACIVSA-N
XLogP1.40
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 3210088
1-ethyl-4-[(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3210124
1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride
CID 171668375
1-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]-4-methylpiperazine
CID 1447111
1-ethyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 51686019
1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 1447045
1-[(1S)-1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]propyl]-4-ethylpiperazine
CID 1447418
1-(4-fluorophenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 1447118
1-[1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]propyl]-4-ethylpiperazine chloride
CID 53350700
1-(2-fluorophenyl)-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 3210063
1-(3-chlorophenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 1447031
[4-[(1S)-1-(1-benzyltetrazol-5-yl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1445983

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The IUPAC name of 1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine (CID 855392) is 1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine is CC[C@H](c1nnnn1Cc1ccco1)N1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The InChIKey is OWODUXOQNXXCFI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N6O/c1-3-14(20-9-7-19(4-2)8-10-20)15-16-17-18-21(15)12-13-6-5-11-22-13/h5-6,11,14H,3-4,7-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine has a molecular weight of 304.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine is sourced from PubChem (CID 855392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).