4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid

C9H17NO3 — CID 91225610

IUPAC4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid
SMILESCC(C)(O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-9(2,13)7-3-5-10(6-4-7)8(11)12/h7,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyFNKFXZDPLPMOGY-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.15
Rot. Bonds1

About 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid

4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid (PubChem CID 91225610) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid
PubChem CID91225610
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid
SMILESCC(C)(O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-9(2,13)7-3-5-10(6-4-7)8(11)12/h7,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyFNKFXZDPLPMOGY-UHFFFAOYSA-N
XLogP1.15
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
CID 20644912
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 165439664
4-acetylpiperidine-1-carboxylic acid
CID 22135578
3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68960717
4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid
CID 91007928
piperidine-1,4-dicarboxylic acid
CID 18542445
4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46989669
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164556104
4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid
CID 91321948

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid (CID 91225610) is 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid is CC(C)(O)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid?
The InChIKey is FNKFXZDPLPMOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,13)7-3-5-10(6-4-7)8(11)12/h7,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid?
4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 91225610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).