4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine

C15H30N2 — CID 79384453

IUPAC4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1NCCC1CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2/c1-12-13(5-8-16-12)11-17-9-6-14(7-10-17)15(2,3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyCCYRECTWKXMXHF-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds2

About 4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine

4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 79384453) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine
PubChem CID79384453
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1NCCC1CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2/c1-12-13(5-8-16-12)11-17-9-6-14(7-10-17)15(2,3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyCCYRECTWKXMXHF-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine (CID 79384453) is 4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine is CC1NCCC1CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is CCYRECTWKXMXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12-13(5-8-16-12)11-17-9-6-14(7-10-17)15(2,3)4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine?
4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(2-methylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 79384453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).