3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine

C13H26N2 — CID 138554774

IUPAC3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine
SMILESCC(C)C1C(C)NCC1C1CCCNC1
InChIInChI=1S/C13H26N2/c1-9(2)13-10(3)15-8-12(13)11-5-4-6-14-7-11/h9-15H,4-8H2,1-3H3
InChIKeyKIMBEYYEAVCQMV-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.87
Rot. Bonds2

About 3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine

3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine (PubChem CID 138554774) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine.

Molecular Properties

Compound Name3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine
PubChem CID138554774
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine
SMILESCC(C)C1C(C)NCC1C1CCCNC1
InChIInChI=1S/C13H26N2/c1-9(2)13-10(3)15-8-12(13)11-5-4-6-14-7-11/h9-15H,4-8H2,1-3H3
InChIKeyKIMBEYYEAVCQMV-UHFFFAOYSA-N
XLogP1.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3R)-piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569160
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
3-imidazolidin-2-ylpiperidine
CID 175384485
(3S)-3-cyclohexylpiperidine
CID 7016473
3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride
CID 126845296
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[3,2-c]azepine
CID 82416494
(3R)-3-[(2R)-pyrrolidin-2-yl]piperidine
CID 40566318
3-(3,3,5,5-tetramethylcyclohexyl)piperidine
CID 165449949
5-methyl-2-piperidin-3-yl-1,3-oxazinane
CID 117226391
[(3R)-3-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-6-yl]methanol
CID 176569123
ethane;(3S)-3-methylpiperidine
CID 144634573
4-piperidin-3-ylcyclohexan-1-one
CID 130987031

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine?
The IUPAC name of 3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine (CID 138554774) is 3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine.
What is the SMILES notation for 3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine?
The canonical SMILES for 3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine is CC(C)C1C(C)NCC1C1CCCNC1.
What is the InChIKey of 3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine?
The InChIKey is KIMBEYYEAVCQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-9(2)13-10(3)15-8-12(13)11-5-4-6-14-7-11/h9-15H,4-8H2,1-3H3.
What are the key properties of 3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine?
3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine has a molecular weight of 210.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine is sourced from PubChem (CID 138554774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).