ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate

C11H21NO3 — CID 19261840

IUPACethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCCO)C1
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)10-5-3-6-12(9-10)7-4-8-13/h10,13H,2-9H2,1H3
InChIKeyHQFIZLPZCKEBBS-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds5

About ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate

ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate (PubChem CID 19261840) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate
PubChem CID19261840
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCCO)C1
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)10-5-3-6-12(9-10)7-4-8-13/h10,13H,2-9H2,1H3
InChIKeyHQFIZLPZCKEBBS-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylnipecotinic acid methyl ester
CID 15535
1-methylpiperidine-3-carboxylic Acid
CID 2736937
Ethyl 1-methylpiperidine-3-carboxylate
CID 97981
methyl (3S)-1-methylpiperidine-3-carboxylate
CID 641103
Methyl N-methylnipecotate methobromide
CID 9881457
1-(2-Hydroxyethyl)-3-piperidinecarboxylic acid
CID 21266355
ethyl (3S)-1-methylpiperidine-3-carboxylate
CID 736035
Ethyl 1-pentanoyl-3-piperidinecarboxylate
CID 2957207
3-Piperidinecarboxylic acid, 4-hydroxy-1-methyl-, ethyl ester
CID 216768
1-(2-Aminooxyethyl)piperidine-3-carboxylic acid
CID 19971670
Piperidinium, 1-ethyl-3-(methoxycarbonyl)-1-methyl-, bromide
CID 3048291
4-Hydroxy-3-(methoxycarbonyl)-1,1-dimethylpiperidin-1-ium iodide
CID 3070302

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate (CID 19261840) is ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCCO)C1.
What is the InChIKey of ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate?
The InChIKey is HQFIZLPZCKEBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-15-11(14)10-5-3-6-12(9-10)7-4-8-13/h10,13H,2-9H2,1H3.
What are the key properties of ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate?
ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate is sourced from PubChem (CID 19261840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).