tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride

C13H27ClN2O2 — CID 174994313

IUPACtert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(N)CC1CCN(C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-10(14)9-11-5-7-15(8-6-11)12(16)17-13(2,3)4;/h10-11H,5-9,14H2,1-4H3;1H
InChIKeyQNFWVFQBYWUBDV-UHFFFAOYSA-N
MW278.82 g/mol
LogP2.79
Rot. Bonds2

About tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride

tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride (PubChem CID 174994313) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
PubChem CID174994313
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Nametert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(N)CC1CCN(C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-10(14)9-11-5-7-15(8-6-11)12(16)17-13(2,3)4;/h10-11H,5-9,14H2,1-4H3;1H
InChIKeyQNFWVFQBYWUBDV-UHFFFAOYSA-N
XLogP2.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-(2-aminopropyl)azepane-1-carboxylate
CID 83913153
tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
CID 115050049
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 3-(2-aminopropyl)azepane-1-carboxylate
CID 83913154
tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate
CID 142324969
tert-butyl 4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylate
CID 67861069
tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate
CID 53302080
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730214

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride (CID 174994313) is tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride is CC(N)CC1CCN(C(=O)OC(C)(C)C)CC1.Cl.
What is the InChIKey of tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride?
The InChIKey is QNFWVFQBYWUBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-10(14)9-11-5-7-15(8-6-11)12(16)17-13(2,3)4;/h10-11H,5-9,14H2,1-4H3;1H.
What are the key properties of tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride?
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 174994313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).