[(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol

C13H27NO — CID 153493622

IUPAC[(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol
SMILESCC(C)(C)[C@H]1C[C@H](CO)N(C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-12(2,3)10-7-11(9-15)14(8-10)13(4,5)6/h10-11,15H,7-9H2,1-6H3/t10-,11+/m0/s1
InChIKeyBNHHGJPGKKBZQR-WDEREUQCSA-N
MW213.37 g/mol
LogP2.51
Rot. Bonds1

About [(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol

[(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol (PubChem CID 153493622) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is [(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol
PubChem CID153493622
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name[(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol
SMILESCC(C)(C)[C@H]1C[C@H](CO)N(C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-12(2,3)10-7-11(9-15)14(8-10)13(4,5)6/h10-11,15H,7-9H2,1-6H3/t10-,11+/m0/s1
InChIKeyBNHHGJPGKKBZQR-WDEREUQCSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol (CID 153493622) is [(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol is CC(C)(C)[C@H]1C[C@H](CO)N(C(C)(C)C)C1.
What is the InChIKey of [(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol?
The InChIKey is BNHHGJPGKKBZQR-WDEREUQCSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)10-7-11(9-15)14(8-10)13(4,5)6/h10-11,15H,7-9H2,1-6H3/t10-,11+/m0/s1.
What are the key properties of [(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol?
[(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol has a molecular weight of 213.37 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-1,4-ditert-butylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 153493622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).