tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate

C12H24N2O2 — CID 1514256

IUPACtert-butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](C1)CCN
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9,13H2,1-3H3/t10-/m0/s1
InChIKeyGYLAYRXNMUUXJS-JTQLQIEISA-N
MW228.33 g/mol
LogP1.30
Rot. Bonds4

About tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate

tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate (PubChem CID 1514256) has the molecular formula C12H24N2O2 and a molecular weight of 228.33 g/mol. Its IUPAC name is tert-butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate
PubChem CID1514256
Molecular FormulaC12H24N2O2
Molecular Weight228.33 g/mol
Exact Mass228.18
IUPAC Nametert-butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](C1)CCN
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9,13H2,1-3H3/t10-/m0/s1
InChIKeyGYLAYRXNMUUXJS-JTQLQIEISA-N
XLogP1.30
TPSA55.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity236

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1-Boc-piperidine
CID 1268291
1-(tert-Butoxycarbonyl)piperidine-4-carboxamide
CID 2735646
4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756482
1-Boc-3-(aminomethyl)piperidine
CID 2756483
tert-butyl N-[2-(piperidin-3-yl)ethyl]carbamate
CID 4362805
Tert-butyl (piperidin-4-ylmethyl)carbamate
CID 723429
1-Boc-4-(aminomethyl)piperidine
CID 736817
tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate
CID 11310432
Tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate
CID 16228837
tert-butyl N-[1-(piperidin-4-yl)ethyl]carbamate
CID 43523185
tert-Butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate
CID 1502022

Frequently Asked Questions

What is the IUPAC name of tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate?
The IUPAC name of tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate (CID 1514256) is tert-butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](C1)CCN.
What is the InChIKey of tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate?
The InChIKey is GYLAYRXNMUUXJS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9,13H2,1-3H3/t10-/m0/s1.
What are the key properties of tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate?
tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate has a molecular weight of 228.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 1514256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).