[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol

C14H27NO3 — CID 116638263

IUPAC[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol
SMILESOCC1CCCCCN1CC1(CO)CCOCC1
InChIInChI=1S/C14H27NO3/c16-10-13-4-2-1-3-7-15(13)11-14(12-17)5-8-18-9-6-14/h13,16-17H,1-12H2
InChIKeyWKTCFYRFDXHIDB-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.01
Rot. Bonds4

About [1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol

[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol (PubChem CID 116638263) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol
PubChem CID116638263
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol
SMILESOCC1CCCCCN1CC1(CO)CCOCC1
InChIInChI=1S/C14H27NO3/c16-10-13-4-2-1-3-7-15(13)11-14(12-17)5-8-18-9-6-14/h13,16-17H,1-12H2
InChIKeyWKTCFYRFDXHIDB-UHFFFAOYSA-N
XLogP1.01
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 83062160
[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol
CID 111976477
3-[[2-(hydroxymethyl)azepan-1-yl]methyl]oxolane-3-carbaldehyde
CID 116638064
[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol
CID 116638187
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol
CID 62390771
[1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740867
[1-[[1-(phosphanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol
CID 172627736
[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740868
[1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]piperidin-2-yl]methanol
CID 62259143
N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 83061995
[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol
CID 65009034
1-[[2-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 62276822

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol (CID 116638263) is [1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol is OCC1CCCCCN1CC1(CO)CCOCC1.
What is the InChIKey of [1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol?
The InChIKey is WKTCFYRFDXHIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c16-10-13-4-2-1-3-7-15(13)11-14(12-17)5-8-18-9-6-14/h13,16-17H,1-12H2.
What are the key properties of [1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol?
[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol has a molecular weight of 257.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol is sourced from PubChem (CID 116638263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).