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

C15H29NO2 — CID 114338640

IUPAC1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCCN1CC1CCCCO1
InChIInChI=1S/C15H29NO2/c1-13(17)11-14-7-3-2-5-9-16(14)12-15-8-4-6-10-18-15/h13-15,17H,2-12H2,1H3
InChIKeyZYTYCURFIBTAHH-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.57
Rot. Bonds4

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

1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol (PubChem CID 114338640) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
PubChem CID114338640
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCCN1CC1CCCCO1
InChIInChI=1S/C15H29NO2/c1-13(17)11-14-7-3-2-5-9-16(14)12-15-8-4-6-10-18-15/h13-15,17H,2-12H2,1H3
InChIKeyZYTYCURFIBTAHH-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine
CID 43591930
[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62014346
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
CID 114338898
1-[1-(cyclobutylmethyl)piperidin-2-yl]propan-2-ol
CID 114338188
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine
CID 56824355
[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338733
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-methylpropan-2-ol
CID 114338998
1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
CID 114338880
1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758742

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol (CID 114338640) is 1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol is CC(O)CC1CCCCCN1CC1CCCCO1.
What is the InChIKey of 1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol?
The InChIKey is ZYTYCURFIBTAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(17)11-14-7-3-2-5-9-16(14)12-15-8-4-6-10-18-15/h13-15,17H,2-12H2,1H3.
What are the key properties of 1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol?
1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol is sourced from PubChem (CID 114338640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).