4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine

C18H36N2 — CID 156551026

IUPAC4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
SMILESCC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H36N2/c1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6/h15-16H,7-14H2,1-6H3/t15-/m0/s1
InChIKeyOTTHGVLCLLDVQG-HNNXBMFYSA-N
MW280.50 g/mol
LogP3.86
Rot. Bonds2

About 4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine

4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine (PubChem CID 156551026) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
PubChem CID156551026
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
SMILESCC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H36N2/c1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6/h15-16H,7-14H2,1-6H3/t15-/m0/s1
InChIKeyOTTHGVLCLLDVQG-HNNXBMFYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 167620888
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3,5-difluoropiperidine
CID 176629984
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 156551481
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
CID 134335583
[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-dimethyl-sulfanyl-λ4-sulfane
CID 170402213
4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine
CID 156551459

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine?
The IUPAC name of 4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine (CID 156551026) is 4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine is CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.
What is the InChIKey of 4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine?
The InChIKey is OTTHGVLCLLDVQG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H36N2/c1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6/h15-16H,7-14H2,1-6H3/t15-/m0/s1.
What are the key properties of 4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine?
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine has a molecular weight of 280.50 g/mol, XLogP of 3.86, 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-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine is sourced from PubChem (CID 156551026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).