[4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol

C15H29NO2 — CID 114170346

IUPAC[4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol
SMILESCCCC1(CCC)CN(C2(CO)CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-5-14(6-4-2)11-16(12-14)15(13-17)7-9-18-10-8-15/h17H,3-13H2,1-2H3
InChIKeySBSJUBSDLZPRFJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.43
Rot. Bonds6

About [4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol

[4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol (PubChem CID 114170346) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol
PubChem CID114170346
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol
SMILESCCCC1(CCC)CN(C2(CO)CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-5-14(6-4-2)11-16(12-14)15(13-17)7-9-18-10-8-15/h17H,3-13H2,1-2H3
InChIKeySBSJUBSDLZPRFJ-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol
CID 106299445
4-ethyl-4-propyloxane
CID 142221834
[4-(2,5-dihydropyrrol-1-yl)oxan-4-yl]methanol
CID 106299504
[1-(3,3-dipropylazetidin-1-yl)cyclopentyl]methanamine
CID 79678050
(4-octyloxan-4-yl)methanol
CID 66024090
(1-propylcyclopropyl)methanol
CID 66026334
ethane;(4-ethyloxan-4-yl)methanol
CID 143573647
2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
CID 72931753
2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
CID 97152457
4-but-3-enyl-4-propyloxane
CID 156531581
1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione
CID 106299559
(3-pyrrolidin-1-yloxolan-3-yl)methanol
CID 131165992

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol?
The IUPAC name of [4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol (CID 114170346) is [4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol?
The canonical SMILES for [4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol is CCCC1(CCC)CN(C2(CO)CCOCC2)C1.
What is the InChIKey of [4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol?
The InChIKey is SBSJUBSDLZPRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-14(6-4-2)11-16(12-14)15(13-17)7-9-18-10-8-15/h17H,3-13H2,1-2H3.
What are the key properties of [4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol?
[4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol has a molecular weight of 255.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dipropylazetidin-1-yl)oxan-4-yl]methanol is sourced from PubChem (CID 114170346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).