4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine

C16H29N3 — CID 137194720

IUPAC4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine
SMILESCC1CC(C(C)(C)C)=C/C(=N\CC2CCNCC2)N1
InChIInChI=1S/C16H29N3/c1-12-9-14(16(2,3)4)10-15(19-12)18-11-13-5-7-17-8-6-13/h10,12-13,17H,5-9,11H2,1-4H3,(H,18,19)
InChIKeyPCDKBNOESBZZIS-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.74
Rot. Bonds2

About 4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine

4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine (PubChem CID 137194720) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine
PubChem CID137194720
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine
SMILESCC1CC(C(C)(C)C)=C/C(=N\CC2CCNCC2)N1
InChIInChI=1S/C16H29N3/c1-12-9-14(16(2,3)4)10-15(19-12)18-11-13-5-7-17-8-6-13/h10,12-13,17H,5-9,11H2,1-4H3,(H,18,19)
InChIKeyPCDKBNOESBZZIS-UHFFFAOYSA-N
XLogP2.74
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(piperidin-4-ylmethyl)cyclopropanimine
CID 163953059
4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
CID 114460469
4-(isocyanatomethyl)piperidine
CID 84762613
4-[2-(4-tert-butylimidazol-1-yl)ethyl]piperidine
CID 82513262
4-(3-fluoro-3-methylbutyl)piperidine
CID 83816497
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(piperidin-4-ylmethyl)carbamimidoyl]carbamate
CID 53330323
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone
CID 114460026
4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
CID 10821871
5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine
CID 105476730
ethane;4-propylpiperidine
CID 142071399
hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane
CID 171400301

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine?
The IUPAC name of 4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine (CID 137194720) is 4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine.
What is the SMILES notation for 4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine?
The canonical SMILES for 4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine is CC1CC(C(C)(C)C)=C/C(=N\CC2CCNCC2)N1.
What is the InChIKey of 4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine?
The InChIKey is PCDKBNOESBZZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12-9-14(16(2,3)4)10-15(19-12)18-11-13-5-7-17-8-6-13/h10,12-13,17H,5-9,11H2,1-4H3,(H,18,19).
What are the key properties of 4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine?
4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine has a molecular weight of 263.43 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-pyridin-6-imine is sourced from PubChem (CID 137194720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).