N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine

C9H16N6 — CID 143699742

IUPACN-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine
SMILESC=NCC1CCN(c2nnnn2C)CC1
InChIInChI=1S/C9H16N6/c1-10-7-8-3-5-15(6-4-8)9-11-12-13-14(9)2/h8H,1,3-7H2,2H3
InChIKeyVYDKZUCCBABMOC-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.13
Rot. Bonds3

About N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine

N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine (PubChem CID 143699742) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine.

Molecular Properties

Compound NameN-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine
PubChem CID143699742
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC NameN-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine
SMILESC=NCC1CCN(c2nnnn2C)CC1
InChIInChI=1S/C9H16N6/c1-10-7-8-3-5-15(6-4-8)9-11-12-13-14(9)2/h8H,1,3-7H2,2H3
InChIKeyVYDKZUCCBABMOC-UHFFFAOYSA-N
XLogP0.13
TPSA59.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Tetrazole, 1-methyl-5-piperidino-
CID 123689062
4-(1,1-Difluoroethyl)-1-(1-methyltetrazol-5-yl)piperidine
CID 167845741
1-Propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 57830028
1-Propan-2-yl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 57830078
1-(1-Methyltetrazol-5-yl)-4-propan-2-ylpiperidine
CID 57956282
4-Methyl-1-(1-methyltetrazol-5-yl)piperidine
CID 70672940
4-(1-Ethyltetrazol-5-yl)-1-methylpiperidine
CID 118303262
1-Methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 127001978
1-(1-Ethyltetrazol-5-yl)piperidine
CID 141194528
1-Methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 143132022
Ethane;1-(1-methyltetrazol-5-yl)-4-propan-2-ylpiperidine
CID 143699513
1-Hexyl-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 152178720

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine?
The IUPAC name of N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine (CID 143699742) is N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine.
What is the SMILES notation for N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine?
The canonical SMILES for N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine is C=NCC1CCN(c2nnnn2C)CC1.
What is the InChIKey of N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine?
The InChIKey is VYDKZUCCBABMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-10-7-8-3-5-15(6-4-8)9-11-12-13-14(9)2/h8H,1,3-7H2,2H3.
What are the key properties of N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine?
N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine has a molecular weight of 208.27 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]methanimine is sourced from PubChem (CID 143699742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).