tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride

C11H23ClN2O2 — CID 2756034

IUPACtert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;/h9H,4-8,12H2,1-3H3;1H
InChIKeyDSXFEYYTYBXYMB-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.01
Rot. Bonds1

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

tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride (PubChem CID 2756034) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride
PubChem CID2756034
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Nametert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;/h9H,4-8,12H2,1-3H3;1H
InChIKeyDSXFEYYTYBXYMB-UHFFFAOYSA-N
XLogP2.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride 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 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
1-(tert-Butoxycarbonyl)piperidine-4-carboxamide
CID 2735646
1-BOC-3-Aminopiperidine
CID 545809
4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
1-Boc-3-(aminomethyl)piperidine
CID 2756483
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride (CID 2756034) is tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC(CN)CC1.Cl.
What is the InChIKey of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride?
The InChIKey is DSXFEYYTYBXYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;/h9H,4-8,12H2,1-3H3;1H.
What are the key properties of tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride?
tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 2756034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).