[1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol

C15H27NO2 — CID 72928135

IUPAC[1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(CC2CCOCC2)C1
InChIInChI=1S/C15H27NO2/c1-2-6-15(13-17)7-3-8-16(12-15)11-14-4-9-18-10-5-14/h2,14,17H,1,3-13H2
InChIKeyKOWGTCMVSADWLM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.06
Rot. Bonds5

About [1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol

[1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 72928135) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID72928135
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(CC2CCOCC2)C1
InChIInChI=1S/C15H27NO2/c1-2-6-15(13-17)7-3-8-16(12-15)11-14-4-9-18-10-5-14/h2,14,17H,1,3-13H2
InChIKeyKOWGTCMVSADWLM-UHFFFAOYSA-N
XLogP2.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.06
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

[(3R)-1-(2-ethoxyethyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97145669
(3-Prop-2-enyl-1-azabicyclo[2.2.2]octan-3-yl)methanol
CID 15749857
[3-Allyl-1-(2-morpholin-4-ylethyl)piperidin-3-yl]methanol
CID 70783874
[3-Allyl-1-(3-methoxypropyl)-3-piperidinyl]methanol
CID 72887323
[3-Allyl-1-(2-ethoxyethyl)-3-piperidinyl]methanol
CID 72917172
[3-(3-methyl-2-buten-1-yl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-3-piperidinyl]methanol
CID 72922362
4-[3-Allyl-3-(hydroxymethyl)-1-piperidinyl]-1-butanol
CID 86283494
[(3S)-1-(3-methoxypropyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97131233
[(3R)-1-(3-methoxypropyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97131234
[(3S)-1-(2-ethoxyethyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97145668
[(3R)-3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
CID 97147913
[(3S)-3-(3-methylbut-2-enyl)-1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
CID 97147914

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol (CID 72928135) is [1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol is C=CCC1(CO)CCCN(CC2CCOCC2)C1.
What is the InChIKey of [1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is KOWGTCMVSADWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-6-15(13-17)7-3-8-16(12-15)11-14-4-9-18-10-5-14/h2,14,17H,1,3-13H2.
What are the key properties of [1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
[1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 253.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 72928135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).