tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid

C14H26N2O2 — CID 66868621

IUPACtert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(C2CCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)16(13(17)18)12-7-9-15(10-8-12)11-5-4-6-11/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyQINCOACNNVNKOO-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.78
Rot. Bonds2

About tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid

tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid (PubChem CID 66868621) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid
PubChem CID66868621
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(C2CCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)16(13(17)18)12-7-9-15(10-8-12)11-5-4-6-11/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyQINCOACNNVNKOO-UHFFFAOYSA-N
XLogP2.78
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid
CID 66739757
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555
tert-butyl-(3-morpholin-4-ylcyclobutyl)carbamic acid
CID 175312691
tert-butyl-[(3R)-1-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-3-yl]carbamic acid
CID 66787733
[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid
CID 67070328
tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid
CID 160959788
tert-butyl-[(1R)-3-oxocyclohexyl]carbamic acid
CID 97170156
tert-butyl-[(3S)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-3-yl]carbamic acid
CID 67169940
tert-butyl-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]carbamic acid
CID 87400889
tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 86608801
tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid
CID 130431191
tert-butyl-[(1R,3R)-3-cyanocyclohexyl]carbamic acid
CID 67278135

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid?
The IUPAC name of tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid (CID 66868621) is tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid?
The canonical SMILES for tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid is CC(C)(C)N(C(=O)O)C1CCN(C2CCC2)CC1.
What is the InChIKey of tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid?
The InChIKey is QINCOACNNVNKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)16(13(17)18)12-7-9-15(10-8-12)11-5-4-6-11/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid?
tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid has a molecular weight of 254.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 66868621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).