ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate

C9H17NO3 — CID 10465068

IUPACethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@@H](CO)N1
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)8-5-3-4-7(6-11)10-8/h7-8,10-11H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyXFCQDUHGBDFFFF-JGVFFNPUSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds3

About ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate

ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate (PubChem CID 10465068) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate
PubChem CID10465068
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@@H](CO)N1
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)8-5-3-4-7(6-11)10-8/h7-8,10-11H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyXFCQDUHGBDFFFF-JGVFFNPUSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl piperidine-2-carboxylate
CID 27517
(6R)-butyl 6-methylpiperidine-2-carboxylate hydrochloride
CID 9551733
2,6-Piperidinedicarboxylic acid
CID 557515
rac-2,6-dimethyl (2R,6S)-piperidine-2,6-dicarboxylate
CID 10679562
Ethyl pipecolinate hydrochloride
CID 12436225
Butyl 6-methyl-2-piperidinecarboxylate hydrochloride
CID 2834679
NoName_3265
CID 3815667
(2R,6S)-piperidine-2,6-dicarboxylic acid
CID 10942932
Octanoic acid, compd. with morpholine (1:1)
CID 162299
Dibutyl piperidine-2,6-dicarboxylate
CID 6602935
Butyl 6-methylpiperidine-2-carboxylate
CID 2834680
2-(Diethylamino)ethyl 6-methylpiperidine-2-carboxylate--hydrogen chloride (1/2)
CID 16205741

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate?
The IUPAC name of ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate (CID 10465068) is ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate is CCOC(=O)[C@H]1CCC[C@@H](CO)N1.
What is the InChIKey of ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate?
The InChIKey is XFCQDUHGBDFFFF-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-9(12)8-5-3-4-7(6-11)10-8/h7-8,10-11H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate?
ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,6S)-6-(hydroxymethyl)piperidine-2-carboxylate is sourced from PubChem (CID 10465068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).