di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol

C16H29N3O — CID 5254859

IUPACdi(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol
SMILESOC(C1CC=CCN1)(C1CCCCN1)C1CCCCN1
InChIInChI=1S/C16H29N3O/c20-16(13-7-1-4-10-17-13,14-8-2-5-11-18-14)15-9-3-6-12-19-15/h1,4,13-15,17-20H,2-3,5-12H2
InChIKeyWMDQJFAABKBYTC-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.92
Rot. Bonds3

About di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol

di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol (PubChem CID 5254859) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol.

Molecular Properties

Compound Namedi(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol
PubChem CID5254859
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Namedi(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol
SMILESOC(C1CC=CCN1)(C1CCCCN1)C1CCCCN1
InChIInChI=1S/C16H29N3O/c20-16(13-7-1-4-10-17-13,14-8-2-5-11-18-14)15-9-3-6-12-19-15/h1,4,13-15,17-20H,2-3,5-12H2
InChIKeyWMDQJFAABKBYTC-UHFFFAOYSA-N
XLogP0.92
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol?
The IUPAC name of di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol (CID 5254859) is di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol.
What is the SMILES notation for di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol?
The canonical SMILES for di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol is OC(C1CC=CCN1)(C1CCCCN1)C1CCCCN1.
What is the InChIKey of di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol?
The InChIKey is WMDQJFAABKBYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c20-16(13-7-1-4-10-17-13,14-8-2-5-11-18-14)15-9-3-6-12-19-15/h1,4,13-15,17-20H,2-3,5-12H2.
What are the key properties of di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol?
di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol has a molecular weight of 279.43 g/mol, XLogP of 0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol is sourced from PubChem (CID 5254859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).