2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine

C53H111N5 — CID 163484807

IUPAC2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1(C(C)C)CCCCN1.CC(C)C1(C(C)C)CCCN1.CC(C)C1(C(C)C)CCCNC1.CC(C)C1(C(C)C)CCNC1.CC(C)C1(C(C)C)CCNCC1
InChIInChI=1S/3C11H23N.2C10H21N/c1-9(2)11(10(3)4)5-7-12-8-6-11;1-9(2)11(10(3)4)6-5-7-12-8-11;1-9(2)11(10(3)4)7-5-6-8-12-11;1-8(2)10(9(3)4)5-6-11-7-10;1-8(2)10(9(3)4)6-5-7-11-10/h3*9-10,12H,5-8H2,1-4H3;2*8-9,11H,5-7H2,1-4H3
InChIKeyCHRJFBIHCJDUSI-UHFFFAOYSA-N
MW818.51 g/mol
LogP12.85
Rot. Bonds10

About 2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine

2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine (PubChem CID 163484807) has the molecular formula C53H111N5 and a molecular weight of 818.51 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine
PubChem CID163484807
Molecular FormulaC53H111N5
Molecular Weight818.51 g/mol
Exact Mass817.88
IUPAC Name2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1(C(C)C)CCCCN1.CC(C)C1(C(C)C)CCCN1.CC(C)C1(C(C)C)CCCNC1.CC(C)C1(C(C)C)CCNC1.CC(C)C1(C(C)C)CCNCC1
InChIInChI=1S/3C11H23N.2C10H21N/c1-9(2)11(10(3)4)5-7-12-8-6-11;1-9(2)11(10(3)4)6-5-7-12-8-11;1-9(2)11(10(3)4)7-5-6-8-12-11;1-8(2)10(9(3)4)5-6-11-7-10;1-8(2)10(9(3)4)6-5-7-11-10/h3*9-10,12H,5-8H2,1-4H3;2*8-9,11H,5-7H2,1-4H3
InChIKeyCHRJFBIHCJDUSI-UHFFFAOYSA-N
XLogP12.85
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.51
LogP ≤ 512.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine with MolForge

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Related Compounds

11-(2,9-Diazaspiro[4.5]decan-6-yl)-2,9-diazaspiro[5.5]undecane
CID 67162981
2-Methyl-6-(8-methyl-2,8-diazaspiro[4.5]decan-3-yl)-2,9-diazaspiro[4.5]decane
CID 123273081
3-Ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane
CID 126748039
7-[8-[5-(1,8-Diazaspiro[4.5]decan-8-yl)-2,5-dimethylhexan-2-yl]-2,8-diazaspiro[4.5]decan-6-yl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 137508378
4-[4-(2-Aminopropan-2-yl)piperidin-1-yl]-1-[1-[1-(2-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)propan-2-yl]piperidin-4-yl]pentan-1-amine
CID 139572959
(1R,4R)-2-[2,4-dimethyl-4-[1-(2,3,3-trimethylpentan-2-yl)piperidin-4-yl]pentan-2-yl]-2,5-diazabicyclo[2.2.1]heptane;ethane;methanamine
CID 153544349
4-tert-butyl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine;1-(piperidin-4-ylmethyl)-4-propan-2-ylpiperidine;propane
CID 153565527
(2S)-2-(2,2-dimethylpropyl)piperidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;ethane;(3R)-3-methyl-1-azabicyclo[2.2.2]octane;(3R)-3-methylpiperidine;3-methylpyrrolidine
CID 157227249
Bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)
CID 157401925
bis(4-tert-butylpiperidine);(3R)-3-tert-butylpyrrolidine;(3S)-3-tert-butylpyrrolidine
CID 157546528
1-Tert-butyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-tert-butyl-4-pyrrolidin-2-ylpiperidine
CID 157739740
1-Tert-butyl-4-piperidin-4-ylpiperidine;1-tert-butyl-4-pyrrolidin-2-ylpiperidine;1-(5,5-dimethylhexyl)pyrrolidine
CID 157814677

Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine?
The IUPAC name of 2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine (CID 163484807) is 2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine is CC(C)C1(C(C)C)CCCCN1.CC(C)C1(C(C)C)CCCN1.CC(C)C1(C(C)C)CCCNC1.CC(C)C1(C(C)C)CCNC1.CC(C)C1(C(C)C)CCNCC1.
What is the InChIKey of 2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine?
The InChIKey is CHRJFBIHCJDUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H23N.2C10H21N/c1-9(2)11(10(3)4)5-7-12-8-6-11;1-9(2)11(10(3)4)6-5-7-12-8-11;1-9(2)11(10(3)4)7-5-6-8-12-11;1-8(2)10(9(3)4)5-6-11-7-10;1-8(2)10(9(3)4)6-5-7-11-10/h3*9-10,12H,5-8H2,1-4H3;2*8-9,11H,5-7H2,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine?
2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine has a molecular weight of 818.51 g/mol, XLogP of 12.85, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;4,4-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)pyrrolidine;3,3-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 163484807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).