tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine

C17H36N4O2 — CID 67744600

IUPACtert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1.NCC1CCNCC1
InChIInChI=1S/C11H22N2O2.C6H14N2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;7-5-6-1-3-8-4-2-6/h9H,4-8,12H2,1-3H3;6,8H,1-5,7H2
InChIKeyWZIWYAUOBGPYLC-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.54
Rot. Bonds2

About tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine

tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine (PubChem CID 67744600) has the molecular formula C17H36N4O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine
PubChem CID67744600
Molecular FormulaC17H36N4O2
Molecular Weight328.50 g/mol
Exact Mass328.28
IUPAC Nametert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1.NCC1CCNCC1
InChIInChI=1S/C11H22N2O2.C6H14N2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;7-5-6-1-3-8-4-2-6/h9H,4-8,12H2,1-3H3;6,8H,1-5,7H2
InChIKeyWZIWYAUOBGPYLC-UHFFFAOYSA-N
XLogP1.54
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine?
The IUPAC name of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine (CID 67744600) is tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine.
What is the SMILES notation for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine?
The canonical SMILES for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine is CC(C)(C)OC(=O)N1CCC(CN)CC1.NCC1CCNCC1.
What is the InChIKey of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine?
The InChIKey is WZIWYAUOBGPYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C6H14N2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;7-5-6-1-3-8-4-2-6/h9H,4-8,12H2,1-3H3;6,8H,1-5,7H2.
What are the key properties of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine?
tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine has a molecular weight of 328.50 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;piperidin-4-ylmethanamine is sourced from PubChem (CID 67744600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).