tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride

C10H22ClN3O2 — CID 155892811

IUPACtert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CNCCC1N.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-10(2,3)15-9(14)13-8-6-12-5-4-7(8)11;/h7-8,12H,4-6,11H2,1-3H3,(H,13,14);1H
InChIKeyVGWJTWPAQDPUJZ-UHFFFAOYSA-N
MW251.76 g/mol
LogP0.62
Rot. Bonds1

About tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride

tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride (PubChem CID 155892811) has the molecular formula C10H22ClN3O2 and a molecular weight of 251.76 g/mol. Its IUPAC name is tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
PubChem CID155892811
Molecular FormulaC10H22ClN3O2
Molecular Weight251.76 g/mol
Exact Mass251.14
IUPAC Nametert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CNCCC1N.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-10(2,3)15-9(14)13-8-6-12-5-4-7(8)11;/h7-8,12H,4-6,11H2,1-3H3,(H,13,14);1H
InChIKeyVGWJTWPAQDPUJZ-UHFFFAOYSA-N
XLogP0.62
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
CID 138108864
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
CID 102548857
tert-butyl N-[(3R)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate
CID 174031687
tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
CID 69182337
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride (CID 155892811) is tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CNCCC1N.Cl.
What is the InChIKey of tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride?
The InChIKey is VGWJTWPAQDPUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.ClH/c1-10(2,3)15-9(14)13-8-6-12-5-4-7(8)11;/h7-8,12H,4-6,11H2,1-3H3,(H,13,14);1H.
What are the key properties of tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride?
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride is sourced from PubChem (CID 155892811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).