4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine

C16H32N2 — CID 164838588

IUPAC4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine
SMILESCCN1CCC(N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-5-17-10-8-15(9-11-17)18-12-6-14(7-13-18)16(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyGYFWLBFRLZMHNE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.23
Rot. Bonds2

About 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine

4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine (PubChem CID 164838588) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine
PubChem CID164838588
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine
SMILESCCN1CCC(N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-5-17-10-8-15(9-11-17)18-12-6-14(7-13-18)16(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyGYFWLBFRLZMHNE-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
1-(1-ethylpiperidin-4-yl)piperidin-4-amine;hydrochloride
CID 68573290
4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
CID 176760528
1-ethyl-4-(3-methylazetidin-1-yl)piperidine
CID 174247988
1-ethyl-4-(2-fluoropropan-2-yl)piperidine
CID 122428509
4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine
CID 167091256
1-(azetidin-3-yl)-4-tert-butylpiperidine
CID 62785369
(4-tert-butylpiperidin-1-yl)methylphosphane
CID 131973586
1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine
CID 171083952
2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 46990920
4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 114763379
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine?
The IUPAC name of 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine (CID 164838588) is 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine is CCN1CCC(N2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine?
The InChIKey is GYFWLBFRLZMHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-17-10-8-15(9-11-17)18-12-6-14(7-13-18)16(2,3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine?
4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine has a molecular weight of 252.45 g/mol, XLogP of 3.23, 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-ethylpiperidin-4-yl)piperidine is sourced from PubChem (CID 164838588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).