tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate

C22H44N4O6 — CID 160689451

IUPACtert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CN)CC1.CC(C)(C)OC(=O)N1CCC(O)(CN)CC1
InChIInChI=1S/2C11H22N2O3/c2*1-10(2,3)16-9(14)13-6-4-11(15,8-12)5-7-13/h2*15H,4-8,12H2,1-3H3
InChIKeyRPFFNVROIOIQSO-UHFFFAOYSA-N
MW460.62 g/mol
LogP1.41
Rot. Bonds2

About tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate (PubChem CID 160689451) has the molecular formula C22H44N4O6 and a molecular weight of 460.62 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
PubChem CID160689451
Molecular FormulaC22H44N4O6
Molecular Weight460.62 g/mol
Exact Mass460.33
IUPAC Nametert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CN)CC1.CC(C)(C)OC(=O)N1CCC(O)(CN)CC1
InChIInChI=1S/2C11H22N2O3/c2*1-10(2,3)16-9(14)13-6-4-11(15,8-12)5-7-13/h2*15H,4-8,12H2,1-3H3
InChIKeyRPFFNVROIOIQSO-UHFFFAOYSA-N
XLogP1.41
TPSA151.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate (CID 160689451) is tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CN)CC1.CC(C)(C)OC(=O)N1CCC(O)(CN)CC1.
What is the InChIKey of tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate?
The InChIKey is RPFFNVROIOIQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22N2O3/c2*1-10(2,3)16-9(14)13-6-4-11(15,8-12)5-7-13/h2*15H,4-8,12H2,1-3H3.
What are the key properties of tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate has a molecular weight of 460.62 g/mol, XLogP of 1.41, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 160689451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).