[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol

C16H26N2O2 — CID 116637089

IUPAC[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol
SMILESCCCc1cc(CO)cc(N2CCCCCC2CO)n1
InChIInChI=1S/C16H26N2O2/c1-2-6-14-9-13(11-19)10-16(17-14)18-8-5-3-4-7-15(18)12-20/h9-10,15,19-20H,2-8,11-12H2,1H3
InChIKeyMNGIZXZPOBWZKM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.27
Rot. Bonds5

About [1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol

[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol (PubChem CID 116637089) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol
PubChem CID116637089
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol
SMILESCCCc1cc(CO)cc(N2CCCCCC2CO)n1
InChIInChI=1S/C16H26N2O2/c1-2-6-14-9-13(11-19)10-16(17-14)18-8-5-3-4-7-15(18)12-20/h9-10,15,19-20H,2-8,11-12H2,1H3
InChIKeyMNGIZXZPOBWZKM-UHFFFAOYSA-N
XLogP2.27
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637083
2-[2-(hydroxymethyl)azepan-1-yl]-6-propylpyridine-4-carboxylic acid
CID 116635077
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine
CID 113380643
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
[2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol
CID 104691301
[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116636939
(2-morpholin-4-yl-6-propyl-4-pyridinyl)methanol
CID 113380426
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640655
[2-(3-methoxypiperidin-1-yl)-6-propyl-4-pyridinyl]methanol
CID 102964270

Frequently Asked Questions

What is the IUPAC name of [1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol?
The IUPAC name of [1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol (CID 116637089) is [1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol is CCCc1cc(CO)cc(N2CCCCCC2CO)n1.
What is the InChIKey of [1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol?
The InChIKey is MNGIZXZPOBWZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-6-14-9-13(11-19)10-16(17-14)18-8-5-3-4-7-15(18)12-20/h9-10,15,19-20H,2-8,11-12H2,1H3.
What are the key properties of [1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol?
[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol is sourced from PubChem (CID 116637089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).