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

C15H25N3O — CID 116640752

IUPAC[1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol
SMILESCCCNc1cc(N2CCCCCC2CO)ccn1
InChIInChI=1S/C15H25N3O/c1-2-8-16-15-11-13(7-9-17-15)18-10-5-3-4-6-14(18)12-19/h7,9,11,14,19H,2-6,8,10,12H2,1H3,(H,16,17)
InChIKeyPBZUHGGHRADQDO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.64
Rot. Bonds5

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

[1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol (PubChem CID 116640752) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol
PubChem CID116640752
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol
SMILESCCCNc1cc(N2CCCCCC2CO)ccn1
InChIInChI=1S/C15H25N3O/c1-2-8-16-15-11-13(7-9-17-15)18-10-5-3-4-6-14(18)12-19/h7,9,11,14,19H,2-6,8,10,12H2,1H3,(H,16,17)
InChIKeyPBZUHGGHRADQDO-UHFFFAOYSA-N
XLogP2.64
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640751
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 62173776
4-[2-(hydroxymethyl)azepan-1-yl]pyridine-2-carbothioamide
CID 116634846
4-[2-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 63855111
N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409376
[1-[[2-(ethylamino)-4-pyridinyl]methyl]azepan-2-yl]methanol
CID 116637998
4-[2-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 62924925
4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine
CID 113367796
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128
[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640670
3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one
CID 113367834

Frequently Asked Questions

What is the IUPAC name of [1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol?
The IUPAC name of [1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol (CID 116640752) is [1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol is CCCNc1cc(N2CCCCCC2CO)ccn1.
What is the InChIKey of [1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol?
The InChIKey is PBZUHGGHRADQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-8-16-15-11-13(7-9-17-15)18-10-5-3-4-6-14(18)12-19/h7,9,11,14,19H,2-6,8,10,12H2,1H3,(H,16,17).
What are the key properties of [1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol?
[1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol is sourced from PubChem (CID 116640752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).