1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

C14H28N2O — CID 58315315

IUPAC1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)(CN2CCCC2)CC1
InChIInChI=1S/C14H28N2O/c1-13(2,3)16-10-6-14(17,7-11-16)12-15-8-4-5-9-15/h17H,4-12H2,1-3H3
InChIKeyYVBRCMIEVBJETI-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.71
Rot. Bonds2

About 1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (PubChem CID 58315315) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
PubChem CID58315315
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)(CN2CCCC2)CC1
InChIInChI=1S/C14H28N2O/c1-13(2,3)16-10-6-14(17,7-11-16)12-15-8-4-5-9-15/h17H,4-12H2,1-3H3
InChIKeyYVBRCMIEVBJETI-UHFFFAOYSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (CID 58315315) is 1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is CC(C)(C)N1CCC(O)(CN2CCCC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The InChIKey is YVBRCMIEVBJETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2,3)16-10-6-14(17,7-11-16)12-15-8-4-5-9-15/h17H,4-12H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol has a molecular weight of 240.39 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 58315315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).