3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene

C10H16IN3 — CID 163474338

IUPAC3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene
SMILESCC1=CC(CN2CCCCC2)=NI=N1
InChIInChI=1S/C10H16IN3/c1-9-7-10(13-11-12-9)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3
InChIKeyBZDZLLQQGPQPTC-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.90
Rot. Bonds2

About 3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene

3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene (PubChem CID 163474338) has the molecular formula C10H16IN3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene
PubChem CID163474338
Molecular FormulaC10H16IN3
Molecular Weight305.16 g/mol
Exact Mass305.04
IUPAC Name3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene
SMILESCC1=CC(CN2CCCCC2)=NI=N1
InChIInChI=1S/C10H16IN3/c1-9-7-10(13-11-12-9)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3
InChIKeyBZDZLLQQGPQPTC-UHFFFAOYSA-N
XLogP2.90
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide
CID 3025240
3-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123946826
6-methyl-1-propan-2-yl-3,4,6,7-tetrahydro-2H-1,5-naphthyridine
CID 134253863
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
5-Piperidin-1-yl-2,3-dihydropyridine;prop-1-ene
CID 143703557
1-propan-2-yl-3,4,6,7-tetrahydro-2H-1,5-naphthyridine
CID 156119645
(3Z)-1-but-1-en-2-yl-3-ethylidene-N-methylpiperidin-4-imine
CID 172383320
ethane;(4Z)-4-ethylidene-N-methyl-1-(3-methylbut-1-en-2-yl)piperidin-3-imine
CID 172383656
(4Z)-1-but-1-en-2-yl-4-ethylidene-N-methylpiperidin-3-imine
CID 172383773
(2R)-2-[(E)-but-2-enyl]-1-methyl-3-[(E)-2-piperidin-1-ylprop-1-enyl]-2H-pyrazine
CID 173820364
ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine
CID 176983570
5-Piperidin-1-yl-2,3-dihydropyridine
CID 143703558

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene?
The IUPAC name of 3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene (CID 163474338) is 3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene.
What is the SMILES notation for 3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene?
The canonical SMILES for 3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene is CC1=CC(CN2CCCCC2)=NI=N1.
What is the InChIKey of 3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene?
The InChIKey is BZDZLLQQGPQPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3/c1-9-7-10(13-11-12-9)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3.
What are the key properties of 3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene?
3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene has a molecular weight of 305.16 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperidin-1-ylmethyl)-1λ3-ioda-2,6-diazacyclohexa-1,3,5-triene is sourced from PubChem (CID 163474338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).