2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate

C10H19NO3 — CID 79349145

IUPAC2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate
SMILESCC1(C)CCCN(C(=O)OCCO)C1
InChIInChI=1S/C10H19NO3/c1-10(2)4-3-5-11(8-10)9(13)14-7-6-12/h12H,3-8H2,1-2H3
InChIKeyAQCZSKVHKZGUJW-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds2

About 2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate

2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate (PubChem CID 79349145) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate
PubChem CID79349145
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate
SMILESCC1(C)CCCN(C(=O)OCCO)C1
InChIInChI=1S/C10H19NO3/c1-10(2)4-3-5-11(8-10)9(13)14-7-6-12/h12H,3-8H2,1-2H3
InChIKeyAQCZSKVHKZGUJW-UHFFFAOYSA-N
XLogP1.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl 4,4-dimethylazepane-1-carboxylate
CID 79349080
2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 107395946
3-hydroxypropyl pyrrolidine-1-carboxylate
CID 118095652
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614
2,2,2-trifluoroethyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 79039797
2-hydroxyethyl thiomorpholine-4-carboxylate
CID 79345320
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 79811127
ethyl 3-bromo-3-iodopiperidine-1-carboxylate
CID 102589424
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 58688971
2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate
CID 79345346
N-ethyl-3,3-dimethylpiperidine-1-carboxamide
CID 115624358
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281129

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate (CID 79349145) is 2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate is CC1(C)CCCN(C(=O)OCCO)C1.
What is the InChIKey of 2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is AQCZSKVHKZGUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2)4-3-5-11(8-10)9(13)14-7-6-12/h12H,3-8H2,1-2H3.
What are the key properties of 2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate?
2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 79349145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).