tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride

C10H22Cl2N2O2 — CID 155920291

IUPACtert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;;/h8H,4-7,11H2,1-3H3;2*1H
InChIKeyLHEMMNNOWSSMMD-UHFFFAOYSA-N
MW273.20 g/mol
LogP2.19
Rot. Bonds

About tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride

tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride (PubChem CID 155920291) has the molecular formula C10H22Cl2N2O2 and a molecular weight of 273.20 g/mol. Its IUPAC name is tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride.

Molecular Properties

Compound Nametert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
PubChem CID155920291
Molecular FormulaC10H22Cl2N2O2
Molecular Weight273.20 g/mol
Exact Mass272.11
IUPAC Nametert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;;/h8H,4-7,11H2,1-3H3;2*1H
InChIKeyLHEMMNNOWSSMMD-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl 3-(3-aminocyclohexyl)piperidine-1-carboxylate
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tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl (3S)-3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate
CID 86317604
tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate
CID 156540665
tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate
CID 165459517
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
tert-butyl (3S)-3-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate
CID 151334292
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
CID 68857542
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
CID 174823448

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride?
The IUPAC name of tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride (CID 155920291) is tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride.
What is the SMILES notation for tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride?
The canonical SMILES for tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride is CC(C)(C)OC(=O)N1CCCC(N)C1.Cl.Cl.
What is the InChIKey of tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride?
The InChIKey is LHEMMNNOWSSMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.2ClH/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;;/h8H,4-7,11H2,1-3H3;2*1H.
What are the key properties of tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride?
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride has a molecular weight of 273.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride is sourced from PubChem (CID 155920291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).