tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate

C11H22N2O3 — CID 69464290

IUPACtert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)[C@H](O)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13/h8-9,14H,4-7,12H2,1-3H3/t8?,9-/m1/s1
InChIKeyGAGALXYDHSHHCD-YGPZHTELSA-N
MW230.31 g/mol
LogP0.56
Rot. Bonds1

About tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate

tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate (PubChem CID 69464290) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate
PubChem CID69464290
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)[C@H](O)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13/h8-9,14H,4-7,12H2,1-3H3/t8?,9-/m1/s1
InChIKeyGAGALXYDHSHHCD-YGPZHTELSA-N
XLogP0.56
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate (CID 69464290) is tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN)[C@H](O)C1.
What is the InChIKey of tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate?
The InChIKey is GAGALXYDHSHHCD-YGPZHTELSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13/h8-9,14H,4-7,12H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate?
tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 69464290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).