1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine

C16H31N3 — CID 114460287

IUPAC1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)(C)C1=CCN(CCN2CCC(N)CC2)CC1
InChIInChI=1S/C16H31N3/c1-16(2,3)14-4-8-18(9-5-14)12-13-19-10-6-15(17)7-11-19/h4,15H,5-13,17H2,1-3H3
InChIKeyLUXQUJZMIXBZAF-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.09
Rot. Bonds3

About 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine

1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine (PubChem CID 114460287) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine
PubChem CID114460287
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)(C)C1=CCN(CCN2CCC(N)CC2)CC1
InChIInChI=1S/C16H31N3/c1-16(2,3)14-4-8-18(9-5-14)12-13-19-10-6-15(17)7-11-19/h4,15H,5-13,17H2,1-3H3
InChIKeyLUXQUJZMIXBZAF-UHFFFAOYSA-N
XLogP2.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 114460259
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine
CID 71049116
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 176795488
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 114460305
N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
CID 114460915
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine
CID 114460346
[1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
CID 114460424
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine
CID 114460331
1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114460322
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine
CID 106313147
1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine
CID 167580000

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine (CID 114460287) is 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine is CC(C)(C)C1=CCN(CCN2CCC(N)CC2)CC1.
What is the InChIKey of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is LUXQUJZMIXBZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-16(2,3)14-4-8-18(9-5-14)12-13-19-10-6-15(17)7-11-19/h4,15H,5-13,17H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine?
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 265.44 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 114460287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).