2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate

C10H19NO3 — CID 174993890

IUPAC2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate
SMILESCN1CCC(C(=O)OC(C)(C)O)CC1
InChIInChI=1S/C10H19NO3/c1-10(2,13)14-9(12)8-4-6-11(3)7-5-8/h8,13H,4-7H2,1-3H3
InChIKeyPSYCUHPSTAWGTN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.60
Rot. Bonds2

About 2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate

2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate (PubChem CID 174993890) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate
PubChem CID174993890
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate
SMILESCN1CCC(C(=O)OC(C)(C)O)CC1
InChIInChI=1S/C10H19NO3/c1-10(2,13)14-9(12)8-4-6-11(3)7-5-8/h8,13H,4-7H2,1-3H3
InChIKeyPSYCUHPSTAWGTN-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide
CID 161073705
amino 1-methylpiperidine-4-carboxylate
CID 18698219
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
(5-hexyl-5-hydroxyundecyl) 1-methylpiperidine-4-carboxylate
CID 150984810
tert-butyl cyclopropanecarboxylate
CID 157212632
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
methyl 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
CID 145006373
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl 1-prop-2-ynylpiperidine-4-carboxylate
CID 126454918
(Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid
CID 175312259

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate?
The IUPAC name of 2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate (CID 174993890) is 2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate.
What is the SMILES notation for 2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate?
The canonical SMILES for 2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate is CN1CCC(C(=O)OC(C)(C)O)CC1.
What is the InChIKey of 2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate?
The InChIKey is PSYCUHPSTAWGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,13)14-9(12)8-4-6-11(3)7-5-8/h8,13H,4-7H2,1-3H3.
What are the key properties of 2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate?
2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 174993890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).