tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate

C15H28N2O2 — CID 83825953

IUPACtert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CCN)(C2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-4-7-15(11-17,8-9-16)12-5-6-12/h12H,4-11,16H2,1-3H3
InChIKeyANJDRWHDACLWNM-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate

tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate (PubChem CID 83825953) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate
PubChem CID83825953
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CCN)(C2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-4-7-15(11-17,8-9-16)12-5-6-12/h12H,4-11,16H2,1-3H3
InChIKeyANJDRWHDACLWNM-UHFFFAOYSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1-(2-aminoethyl)-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 155821613
tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate
CID 126738763
tert-butyl 3-(2-aminoethyl)-3-(fluoromethyl)piperidine-1-carboxylate
CID 115048625
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate
CID 114280711
tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 21018689
tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82664676
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate (CID 83825953) is tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(CCN)(C2CC2)C1.
What is the InChIKey of tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate?
The InChIKey is ANJDRWHDACLWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-4-7-15(11-17,8-9-16)12-5-6-12/h12H,4-11,16H2,1-3H3.
What are the key properties of tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate?
tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate is sourced from PubChem (CID 83825953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).