(2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid

C10H17NO3 — CID 141291209

IUPAC(2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid
SMILESC=CC[C@H]1CCC[C@@H](CO)N1C(=O)O
InChIInChI=1S/C10H17NO3/c1-2-4-8-5-3-6-9(7-12)11(8)10(13)14/h2,8-9,12H,1,3-7H2,(H,13,14)/t8-,9-/m0/s1
InChIKeyIXZOXFFWZDVQGQ-IUCAKERBSA-N
MW199.25 g/mol
LogP1.46
Rot. Bonds3

About (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid

(2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid (PubChem CID 141291209) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid
PubChem CID141291209
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid
SMILESC=CC[C@H]1CCC[C@@H](CO)N1C(=O)O
InChIInChI=1S/C10H17NO3/c1-2-4-8-5-3-6-9(7-12)11(8)10(13)14/h2,8-9,12H,1,3-7H2,(H,13,14)/t8-,9-/m0/s1
InChIKeyIXZOXFFWZDVQGQ-IUCAKERBSA-N
XLogP1.46
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67092784
Tert-butyl 2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67093148
tert-butyl (2R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67093149
tert-butyl (6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67093150
non-8-enyl N-cyclohexyl-N-(1-hydroxynon-8-enyl)carbamate
CID 68356233
(2S,5S)-2-but-3-enyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 141291217
methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate
CID 11149886
methyl (2S,3R,6S)-3-butyl-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 12177407
Ethyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
CID 15315646
1-[(2R,6S)-2-ethenyl-6-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 23655661
1-[2-(Hydroxymethyl)piperidin-1-yl]but-3-en-1-one
CID 62678171
1-[2-(Hydroxymethyl)piperidin-1-yl]pent-4-en-1-one
CID 62678172

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid?
The IUPAC name of (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid (CID 141291209) is (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid.
What is the SMILES notation for (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid?
The canonical SMILES for (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid is C=CC[C@H]1CCC[C@@H](CO)N1C(=O)O.
What is the InChIKey of (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid?
The InChIKey is IXZOXFFWZDVQGQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-4-8-5-3-6-9(7-12)11(8)10(13)14/h2,8-9,12H,1,3-7H2,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid?
(2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid is sourced from PubChem (CID 141291209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).