(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol

C16H32N2O3 — CID 142756274

IUPAC(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN(CCCOCCCN2CCC[C@H](O)C2)C1
InChIInChI=1S/C16H32N2O3/c19-15-5-1-7-17(13-15)9-3-11-21-12-4-10-18-8-2-6-16(20)14-18/h15-16,19-20H,1-14H2/t15-,16-/m0/s1
InChIKeyYSFBXSIBSLOEDT-HOTGVXAUSA-N
MW300.44 g/mol
LogP0.70
Rot. Bonds8

About (3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol

(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol (PubChem CID 142756274) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is (3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol
PubChem CID142756274
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN(CCCOCCCN2CCC[C@H](O)C2)C1
InChIInChI=1S/C16H32N2O3/c19-15-5-1-7-17(13-15)9-3-11-21-12-4-10-18-8-2-6-16(20)14-18/h15-16,19-20H,1-14H2/t15-,16-/m0/s1
InChIKeyYSFBXSIBSLOEDT-HOTGVXAUSA-N
XLogP0.70
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol with MolForge

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Related Compounds

1-(5-methoxypentyl)piperidin-3-ol
CID 110932736
(3S)-1-(3-aminopropyl)piperidin-3-ol
CID 7183117
(3S)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-ol
CID 103412041
1-(3-morpholin-4-ylpropyl)piperidin-3-ol
CID 111461736
1-(2-cycloheptyloxyethyl)piperidin-3-ol
CID 111432869
(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
CID 103182790
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
1-(2-hydrazinylethyl)piperidin-3-ol
CID 130124439
4-(3-hydroxypiperidin-1-yl)-N-methylbutanamide
CID 63892540
4-(3-hydroxypiperidin-1-yl)butanehydrazide
CID 63585558
(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
CID 59334347

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol (CID 142756274) is (3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol is O[C@H]1CCCN(CCCOCCCN2CCC[C@H](O)C2)C1.
What is the InChIKey of (3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol?
The InChIKey is YSFBXSIBSLOEDT-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H32N2O3/c19-15-5-1-7-17(13-15)9-3-11-21-12-4-10-18-8-2-6-16(20)14-18/h15-16,19-20H,1-14H2/t15-,16-/m0/s1.
What are the key properties of (3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol?
(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol has a molecular weight of 300.44 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol is sourced from PubChem (CID 142756274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).