2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate

C15H25NO3 — CID 123207260

IUPAC2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCC(O)CC1)C1CC=CCC1
InChIInChI=1S/C15H25NO3/c1-15(2,12-6-4-3-5-7-12)19-14(18)16-10-8-13(17)9-11-16/h3-4,12-13,17H,5-11H2,1-2H3
InChIKeyNDKZQCHPJVWVIX-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.71
Rot. Bonds2

About 2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate

2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate (PubChem CID 123207260) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate
PubChem CID123207260
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCC(O)CC1)C1CC=CCC1
InChIInChI=1S/C15H25NO3/c1-15(2,12-6-4-3-5-7-12)19-14(18)16-10-8-13(17)9-11-16/h3-4,12-13,17H,5-11H2,1-2H3
InChIKeyNDKZQCHPJVWVIX-UHFFFAOYSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.71
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

t-Butyl 3-allyl-4-hydroxypiperidine-1-carboxylate
CID 59827061
tert-butyl 4-fluoro-8-(hydroxymethyl)-3,4,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate
CID 124031255
tert-butyl (3S)-4-[(1S)-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]-3-(hydroxymethyl)piperidine-1-carboxylate
CID 129065713
tert-butyl (3S,4R)-4-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-3-(hydroxymethyl)piperidine-1-carboxylate
CID 146633424
t-Butyl (3r,4s)-4-hydroxy-3-(3-methylbut-2-en-1-yl)piperidine-1-carboxylate
CID 129759215
t-Butyl (3r,4s)-3-allyl-4-hydroxypiperidine-1-carboxylate
CID 129759630
t-Butyl (3r,4s)-3-(cyclohex-2-en-1-yl)-4-hydroxypiperidine-1-carboxylate
CID 129759726
tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate
CID 146167468
tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate
CID 164669586
(3R,4S)-4-(2-hydroxy-ethyl)-3-vinyl-piperidine-1-carboxylic acid tert-butyl ester
CID 11265318
Tert-butyl 4-[6-(hydroxymethyl)cyclohex-3-en-1-yl]piperazine-1-carboxylate
CID 68213298
Tert-butyl 3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 68564947

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of 2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate (CID 123207260) is 2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for 2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for 2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate is CC(C)(OC(=O)N1CCC(O)CC1)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate?
The InChIKey is NDKZQCHPJVWVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,12-6-4-3-5-7-12)19-14(18)16-10-8-13(17)9-11-16/h3-4,12-13,17H,5-11H2,1-2H3.
What are the key properties of 2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate?
2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 123207260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).