1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine

C17H34N2 — CID 66600663

IUPAC1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine
SMILESCC(C)(C)C1CCN(C2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N2/c1-16(2,3)14-7-10-18(13-14)15-8-11-19(12-9-15)17(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyQABXGEPOABXWLT-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.62
Rot. Bonds1

About 1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine

1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine (PubChem CID 66600663) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine
PubChem CID66600663
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine
SMILESCC(C)(C)C1CCN(C2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N2/c1-16(2,3)14-7-10-18(13-14)15-8-11-19(12-9-15)17(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyQABXGEPOABXWLT-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine 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

3-(1-Methyl-pyrrolidin-2-yl)-1-octyl-piperidine
CID 44335442
1-[5-(3-Fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine
CID 155088184
1-[2-(3-Fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine
CID 155484891
4-Fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 167282452
(3R,4R)-3-fluoro-4-propan-2-yl-1-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine
CID 172114661
(3S,4S)-3-fluoro-4-propan-2-yl-1-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine
CID 172114707
(3R,4R)-3-fluoro-4-propan-2-yl-1-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine
CID 172114712
(3S,4S)-3-fluoro-4-propan-2-yl-1-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine
CID 172114726
3-Fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 172478868
4-Tert-butyl-1-[(1-tert-butyl-3-fluoropyrrolidin-3-yl)methyl]piperidine
CID 172478876
N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine
CID 18727338
1,2,3,4-Tetramethyl-3-[2-(1-pyrrolidinyl)ethyl]piperidine
CID 19097482

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine?
The IUPAC name of 1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine (CID 66600663) is 1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine is CC(C)(C)C1CCN(C2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine?
The InChIKey is QABXGEPOABXWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-16(2,3)14-7-10-18(13-14)15-8-11-19(12-9-15)17(4,5)6/h14-15H,7-13H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine?
1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine has a molecular weight of 266.47 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine is sourced from PubChem (CID 66600663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).