tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid

C16H31N3O4 — CID 160959788

IUPACtert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid
SMILESCC(C)(C)N(C(=O)O)C1CCNCC1.O=C(O)N1CCCCC1
InChIInChI=1S/C10H20N2O2.C6H11NO2/c1-10(2,3)12(9(13)14)8-4-6-11-7-5-8;8-6(9)7-4-2-1-3-5-7/h8,11H,4-7H2,1-3H3,(H,13,14);1-5H2,(H,8,9)
InChIKeySWWDEWLLPBLROI-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.67
Rot. Bonds1

About tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid

tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid (PubChem CID 160959788) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid.

Molecular Properties

Compound Nametert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid
PubChem CID160959788
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC Nametert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid
SMILESCC(C)(C)N(C(=O)O)C1CCNCC1.O=C(O)N1CCCCC1
InChIInChI=1S/C10H20N2O2.C6H11NO2/c1-10(2,3)12(9(13)14)8-4-6-11-7-5-8;8-6(9)7-4-2-1-3-5-7/h8,11H,4-7H2,1-3H3,(H,13,14);1-5H2,(H,8,9)
InChIKeySWWDEWLLPBLROI-UHFFFAOYSA-N
XLogP2.67
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid
CID 66868621
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555
1,5-diazocane-1-carboxylic acid
CID 141313557
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
tert-butyl-[(3R,4R)-4-methoxypiperidin-3-yl]carbamic acid
CID 67045457
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
ethyl N-tert-butyl-N-piperidin-4-ylcarbamate
CID 167313798
iodomethane;piperidine-1-carboxylic acid
CID 159672368
2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64850823
4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 69156881

Frequently Asked Questions

What is the IUPAC name of tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid?
The IUPAC name of tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid (CID 160959788) is tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid.
What is the SMILES notation for tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid?
The canonical SMILES for tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid is CC(C)(C)N(C(=O)O)C1CCNCC1.O=C(O)N1CCCCC1.
What is the InChIKey of tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid?
The InChIKey is SWWDEWLLPBLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C6H11NO2/c1-10(2,3)12(9(13)14)8-4-6-11-7-5-8;8-6(9)7-4-2-1-3-5-7/h8,11H,4-7H2,1-3H3,(H,13,14);1-5H2,(H,8,9).
What are the key properties of tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid?
tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 2.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid is sourced from PubChem (CID 160959788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).