tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate

C15H28N2O2 — CID 83996792

IUPACtert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(NCC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)11-17-8-4-5-13(10-17)16-9-12-6-7-12/h12-13,16H,4-11H2,1-3H3
InChIKeyCELPVJRMDVAGKK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds5

About tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate

tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate (PubChem CID 83996792) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate
PubChem CID83996792
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(NCC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)11-17-8-4-5-13(10-17)16-9-12-6-7-12/h12-13,16H,4-11H2,1-3H3
InChIKeyCELPVJRMDVAGKK-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 2-(4-aminopiperidin-1-yl)acetate
CID 43556576
Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate
CID 177798120
(3-Amino-piperidin-1-yl)-acetic acid methyl ester
CID 61295580
Tert-butyl 2-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 83992641
Tert-butyl 2-[3-methyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 83992642
Tert-butyl 2-[3-(2,2-difluoroethylamino)piperidin-1-yl]acetate
CID 83993335
Tert-butyl 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]acetate
CID 83993336
4-(Boc-methylamine)-3-fluoropiperidine
CID 138393467
Tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate
CID 12132814
Tert-butyl 2-(piperazin-1-yl)propanoate
CID 18423265
Tert-butyl 1-methylpiperazine-2-carboxylate
CID 19781465
Tert-butyl 2-[(piperidin-4-yl)amino]acetate
CID 22574613

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate (CID 83996792) is tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCCC(NCC2CC2)C1.
What is the InChIKey of tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate?
The InChIKey is CELPVJRMDVAGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)11-17-8-4-5-13(10-17)16-9-12-6-7-12/h12-13,16H,4-11H2,1-3H3.
What are the key properties of tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate?
tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 83996792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).