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

C17H32N2O2 — CID 83999559

IUPACtert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(NC2CCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)13-19-11-7-10-15(12-19)18-14-8-5-4-6-9-14/h14-15,18H,4-13H2,1-3H3
InChIKeyYKVJKDRHHHHJAJ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.71
Rot. Bonds4

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

tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate (PubChem CID 83999559) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
PubChem CID83999559
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(NC2CCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)13-19-11-7-10-15(12-19)18-14-8-5-4-6-9-14/h14-15,18H,4-13H2,1-3H3
InChIKeyYKVJKDRHHHHJAJ-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[3-(methylamino)piperidin-1-yl]acetate
CID 55138302
methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
CID 83999544
tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998176
tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate
CID 83996792
tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate
CID 60689789
tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
CID 115300552
tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate
CID 63241433
2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 83991919
tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate
CID 63253049
tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate
CID 83998177
methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998161
N-cyclopropyl-1-(2,3,3-trimethylbutyl)piperidin-3-amine
CID 83147276

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate (CID 83999559) is tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCCC(NC2CCCCC2)C1.
What is the InChIKey of tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate?
The InChIKey is YKVJKDRHHHHJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)13-19-11-7-10-15(12-19)18-14-8-5-4-6-9-14/h14-15,18H,4-13H2,1-3H3.
What are the key properties of tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate?
tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate has a molecular weight of 296.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 83999559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).