[1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol

C13H20N2O2 — CID 116637094

IUPAC[1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol
SMILESOCc1cnccc1N1CCCCCC1CO
InChIInChI=1S/C13H20N2O2/c16-9-11-8-14-6-5-13(11)15-7-3-1-2-4-12(15)10-17/h5-6,8,12,16-17H,1-4,7,9-10H2
InChIKeyFYCUXDDQXZRTNY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds3

About [1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol

[1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol (PubChem CID 116637094) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol
PubChem CID116637094
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol
SMILESOCc1cnccc1N1CCCCCC1CO
InChIInChI=1S/C13H20N2O2/c16-9-11-8-14-6-5-13(11)15-7-3-1-2-4-12(15)10-17/h5-6,8,12,16-17H,1-4,7,9-10H2
InChIKeyFYCUXDDQXZRTNY-UHFFFAOYSA-N
XLogP1.32
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 81239529
3-[2-(hydroxymethyl)azepan-1-yl]pyridine-4-carbonitrile
CID 116634705
[1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol
CID 61146528
[1-(5-aminoisoquinolin-8-yl)azepan-2-yl]methanol
CID 103139323
[(2S)-1-pyridin-3-ylpiperidin-2-yl]methanol
CID 86336410
(1-quinolin-4-ylpiperidin-2-yl)methanol
CID 61339741
2-(bromomethyl)-1-(3-methyl-4-pyridinyl)azepane
CID 116638705
[4-[4-(hydroxymethyl)-3-pyridinyl]morpholin-3-yl]methanol
CID 105066985
[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 136568171
4-(2-ethylpiperidin-1-yl)pyridin-3-amine
CID 43266305
[4-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]methanamine
CID 97053137
3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine
CID 104779467

Frequently Asked Questions

What is the IUPAC name of [1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol?
The IUPAC name of [1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol (CID 116637094) is [1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol is OCc1cnccc1N1CCCCCC1CO.
What is the InChIKey of [1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol?
The InChIKey is FYCUXDDQXZRTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-9-11-8-14-6-5-13(11)15-7-3-1-2-4-12(15)10-17/h5-6,8,12,16-17H,1-4,7,9-10H2.
What are the key properties of [1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol?
[1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol is sourced from PubChem (CID 116637094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).