1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde

C8H13N5O — CID 130590028

IUPAC1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2nn[nH]n2)CC1
InChIInChI=1S/C8H13N5O/c14-6-7-1-3-13(4-2-7)5-8-9-11-12-10-8/h6-7H,1-5H2,(H,9,10,11,12)
InChIKeyHJDIFXBNMABHRE-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.39
Rot. Bonds3

About 1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde

1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde (PubChem CID 130590028) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde
PubChem CID130590028
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2nn[nH]n2)CC1
InChIInChI=1S/C8H13N5O/c14-6-7-1-3-13(4-2-7)5-8-9-11-12-10-8/h6-7H,1-5H2,(H,9,10,11,12)
InChIKeyHJDIFXBNMABHRE-UHFFFAOYSA-N
XLogP-0.39
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone
CID 166189559
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62655744
8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130161868
1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde
CID 105408634
1-[(1-butyltetrazol-5-yl)methyl]piperidine-4-carbaldehyde
CID 62655758
1-(1,2,4-oxadiazol-5-ylmethyl)piperidine-4-carbaldehyde
CID 62654666
1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde
CID 62654833
1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde
CID 107530842
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
1-(cyclopropylmethyl)piperidine-4-carbaldehyde
CID 62656102
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62654121

Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde (CID 130590028) is 1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde is O=CC1CCN(Cc2nn[nH]n2)CC1.
What is the InChIKey of 1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde?
The InChIKey is HJDIFXBNMABHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c14-6-7-1-3-13(4-2-7)5-8-9-11-12-10-8/h6-7H,1-5H2,(H,9,10,11,12).
What are the key properties of 1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde?
1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde has a molecular weight of 195.23 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-ylmethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 130590028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).