tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane

C14H30N2O2 — CID 142118025

IUPACtert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane
SMILESCC.CC(C)(C)OC(=O)CN1CCC(CN)CC1
InChIInChI=1S/C12H24N2O2.C2H6/c1-12(2,3)16-11(15)9-14-6-4-10(8-13)5-7-14;1-2/h10H,4-9,13H2,1-3H3;1-2H3
InChIKeyLQDOZKZWBHJECK-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.03
Rot. Bonds3

About tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane

tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane (PubChem CID 142118025) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane.

Molecular Properties

Compound Nametert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane
PubChem CID142118025
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane
SMILESCC.CC(C)(C)OC(=O)CN1CCC(CN)CC1
InChIInChI=1S/C12H24N2O2.C2H6/c1-12(2,3)16-11(15)9-14-6-4-10(8-13)5-7-14;1-2/h10H,4-9,13H2,1-3H3;1-2H3
InChIKeyLQDOZKZWBHJECK-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[4-(2-aminoethyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 24944493
tert-butyl 2-[4-(2-aminoethyl)piperazin-1-yl]acetate
CID 113366617
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate
CID 11195897
tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
CID 115300552
tert-butyl 2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]acetate
CID 163378049
tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate
CID 103353154
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
CID 174823448
tert-butyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetate
CID 115314315
tert-butyl 4-[2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 20641747
tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate
CID 60689789
tert-butyl N-[amino-[4-(aminomethyl)piperidin-1-yl]methylidene]carbamate
CID 69306673

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane?
The IUPAC name of tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane (CID 142118025) is tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane.
What is the SMILES notation for tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane?
The canonical SMILES for tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane is CC.CC(C)(C)OC(=O)CN1CCC(CN)CC1.
What is the InChIKey of tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane?
The InChIKey is LQDOZKZWBHJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C2H6/c1-12(2,3)16-11(15)9-14-6-4-10(8-13)5-7-14;1-2/h10H,4-9,13H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane?
tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane has a molecular weight of 258.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane is sourced from PubChem (CID 142118025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).