1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde

C9H13N5O2 — CID 87728947

IUPAC1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C9H13N5O2/c15-6-8-1-3-13(4-2-8)9(16)5-14-7-10-11-12-14/h6-8H,1-5H2
InChIKeyFBGBIKDAPSWGSJ-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.89
Rot. Bonds3

About 1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde

1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde (PubChem CID 87728947) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde
PubChem CID87728947
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C9H13N5O2/c15-6-8-1-3-13(4-2-8)9(16)5-14-7-10-11-12-14/h6-8H,1-5H2
InChIKeyFBGBIKDAPSWGSJ-UHFFFAOYSA-N
XLogP-0.89
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde (CID 87728947) is 1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde is O=CC1CCN(C(=O)Cn2cnnn2)CC1.
What is the InChIKey of 1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde?
The InChIKey is FBGBIKDAPSWGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c15-6-8-1-3-13(4-2-8)9(16)5-14-7-10-11-12-14/h6-8H,1-5H2.
What are the key properties of 1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde?
1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde has a molecular weight of 223.24 g/mol, XLogP of -0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 87728947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).