1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium

C15H30N6+2 — CID 7383705

IUPAC1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium
SMILESCC[C@@H](c1nnnn1C1CCCC1)[NH+]1CC[NH+](CC)CC1
InChIInChI=1S/C15H28N6/c1-3-14(20-11-9-19(4-2)10-12-20)15-16-17-18-21(15)13-7-5-6-8-13/h13-14H,3-12H2,1-2H3/p+2/t14-/m0/s1
InChIKeyFKXQJMQOVJYOKD-AWEZNQCLSA-P
MW294.45 g/mol
LogP-0.96
Rot. Bonds5

About 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium

1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium (PubChem CID 7383705) has the molecular formula C15H30N6+2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium
PubChem CID7383705
Molecular FormulaC15H30N6+2
Molecular Weight294.45 g/mol
Exact Mass294.25
IUPAC Name1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium
SMILESCC[C@@H](c1nnnn1C1CCCC1)[NH+]1CC[NH+](CC)CC1
InChIInChI=1S/C15H28N6/c1-3-14(20-11-9-19(4-2)10-12-20)15-16-17-18-21(15)13-7-5-6-8-13/h13-14H,3-12H2,1-2H3/p+2/t14-/m0/s1
InChIKeyFKXQJMQOVJYOKD-AWEZNQCLSA-P
XLogP-0.96
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium?
The IUPAC name of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium (CID 7383705) is 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium?
The canonical SMILES for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium is CC[C@@H](c1nnnn1C1CCCC1)[NH+]1CC[NH+](CC)CC1.
What is the InChIKey of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium?
The InChIKey is FKXQJMQOVJYOKD-AWEZNQCLSA-P. The full InChI is InChI=1S/C15H28N6/c1-3-14(20-11-9-19(4-2)10-12-20)15-16-17-18-21(15)13-7-5-6-8-13/h13-14H,3-12H2,1-2H3/p+2/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium?
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium has a molecular weight of 294.45 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium is sourced from PubChem (CID 7383705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).