1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol

C15H24N2O2 — CID 107405251

IUPAC1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol
SMILESCC[C@H](O)c1ccc(N2CCCC(C)(O)CC2)cn1
InChIInChI=1S/C15H24N2O2/c1-3-14(18)13-6-5-12(11-16-13)17-9-4-7-15(2,19)8-10-17/h5-6,11,14,18-19H,3-4,7-10H2,1-2H3/t14-,15?/m0/s1
InChIKeyIVZYCZJRXCVTGH-MLCCFXAWSA-N
MW264.37 g/mol
LogP2.27
Rot. Bonds3

About 1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol

1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol (PubChem CID 107405251) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol
PubChem CID107405251
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol
SMILESCC[C@H](O)c1ccc(N2CCCC(C)(O)CC2)cn1
InChIInChI=1S/C15H24N2O2/c1-3-14(18)13-6-5-12(11-16-13)17-9-4-7-15(2,19)8-10-17/h5-6,11,14,18-19H,3-4,7-10H2,1-2H3/t14-,15?/m0/s1
InChIKeyIVZYCZJRXCVTGH-MLCCFXAWSA-N
XLogP2.27
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938741
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
CID 83132184
1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol
CID 112585414
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687
(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
CID 103938335
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356557
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol
CID 153422486
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol (CID 107405251) is 1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol is CC[C@H](O)c1ccc(N2CCCC(C)(O)CC2)cn1.
What is the InChIKey of 1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol?
The InChIKey is IVZYCZJRXCVTGH-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-14(18)13-6-5-12(11-16-13)17-9-4-7-15(2,19)8-10-17/h5-6,11,14,18-19H,3-4,7-10H2,1-2H3/t14-,15?/m0/s1.
What are the key properties of 1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol?
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol has a molecular weight of 264.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107405251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).