4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine

C19H36N2 — CID 176795488

IUPAC4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCN(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H36N2/c1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6/h9,16H,7-8,10-15H2,1-6H3
InChIKeyPNLOOAOCYRZRRI-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.18
Rot. Bonds2

About 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine

4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 176795488) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID176795488
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCN(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H36N2/c1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6/h9,16H,7-8,10-15H2,1-6H3
InChIKeyPNLOOAOCYRZRRI-UHFFFAOYSA-N
XLogP4.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 156799121
1-[(Z)-2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 18547048
1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 70027324
1-[2-Methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 70027329
1-[(E)-2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 70027372
1-[2-Methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 70027374
1,4-Ditert-butyl-2,2,3,5,6,6-hexadeuterio-3-methylpyridine
CID 90134218
9-Methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane
CID 90911155
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine
CID 91190722
4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine
CID 123422818
1-(2-methyl-2-piperidin-1-ylpropyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 130238698
4-[1-(4-Tert-butylpiperidin-1-yl)-2-methylpropan-2-yl]-1,2,3,6-tetrahydropyridine
CID 134171581

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine (CID 176795488) is 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine is CC(C)(C)C1=CCN(CC2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is PNLOOAOCYRZRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6/h9,16H,7-8,10-15H2,1-6H3.
What are the key properties of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine?
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 292.51 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 176795488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).