methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate

C15H27NO3 — CID 11149886

IUPACmethyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@@H]1CCC[C@@H](C[C@H](O)CCC)N1C(=O)OC
InChIInChI=1S/C15H27NO3/c1-4-7-12-9-6-10-13(11-14(17)8-5-2)16(12)15(18)19-3/h4,12-14,17H,1,5-11H2,2-3H3/t12-,13+,14-/m1/s1
InChIKeyHPSNTETZCLQVCP-HZSPNIEDSA-N
MW269.38 g/mol
LogP3.10
Rot. Bonds6

About methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate

methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate (PubChem CID 11149886) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate
PubChem CID11149886
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@@H]1CCC[C@@H](C[C@H](O)CCC)N1C(=O)OC
InChIInChI=1S/C15H27NO3/c1-4-7-12-9-6-10-13(11-14(17)8-5-2)16(12)15(18)19-3/h4,12-14,17H,1,5-11H2,2-3H3/t12-,13+,14-/m1/s1
InChIKeyHPSNTETZCLQVCP-HZSPNIEDSA-N
XLogP3.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-[(2R)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate
CID 102286864
tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate
CID 102286865
methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate
CID 10656324
methyl (2S)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 10976525
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)-2-(2-methoxyprop-2-enyl)piperidine-1-carboxylic acid
CID 68487115
Tert-butyl 4-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
CID 141008423
(2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylic acid
CID 141291209

Frequently Asked Questions

What is the IUPAC name of methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate (CID 11149886) is methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate is C=CC[C@@H]1CCC[C@@H](C[C@H](O)CCC)N1C(=O)OC.
What is the InChIKey of methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is HPSNTETZCLQVCP-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-7-12-9-6-10-13(11-14(17)8-5-2)16(12)15(18)19-3/h4,12-14,17H,1,5-11H2,2-3H3/t12-,13+,14-/m1/s1.
What are the key properties of methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate?
methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6S)-2-[(2R)-2-hydroxypentyl]-6-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 11149886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).