1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol

C13H25NO2 — CID 115758742

IUPAC1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CC1CCOCC1
InChIInChI=1S/C13H25NO2/c1-11(15)9-13-3-2-6-14(13)10-12-4-7-16-8-5-12/h11-13,15H,2-10H2,1H3
InChIKeyXDWNRIQRUYXVCR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds4

About 1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol

1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 115758742) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID115758742
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CC1CCOCC1
InChIInChI=1S/C13H25NO2/c1-11(15)9-13-3-2-6-14(13)10-12-4-7-16-8-5-12/h11-13,15H,2-10H2,1H3
InChIKeyXDWNRIQRUYXVCR-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclobutylmethyl)piperidin-2-yl]propan-2-ol
CID 114338188
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
CID 114338898
2-(2-bromopropyl)-1-(oxan-4-ylmethyl)azepane
CID 112748024
1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine
CID 91322429
2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 62386446
1-[1-(2-cyclopropylethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758812
3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine
CID 63763200
(2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine
CID 129358234
1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338640
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758768
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 116525659

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol (CID 115758742) is 1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1CC1CCOCC1.
What is the InChIKey of 1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is XDWNRIQRUYXVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(15)9-13-3-2-6-14(13)10-12-4-7-16-8-5-12/h11-13,15H,2-10H2,1H3.
What are the key properties of 1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 227.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 115758742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).