1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol

C16H34N2O2 — CID 164865480

IUPAC1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol
SMILESCC(C)O.CC(O)CC1CCN(C2CCNCC2)CC1
InChIInChI=1S/C13H26N2O.C3H8O/c1-11(16)10-12-4-8-15(9-5-12)13-2-6-14-7-3-13;1-3(2)4/h11-14,16H,2-10H2,1H3;3-4H,1-2H3
InChIKeyGYBMCYQAPMTAIX-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.61
Rot. Bonds3

About 1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol

1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol (PubChem CID 164865480) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol.

Molecular Properties

Compound Name1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol
PubChem CID164865480
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol
SMILESCC(C)O.CC(O)CC1CCN(C2CCNCC2)CC1
InChIInChI=1S/C13H26N2O.C3H8O/c1-11(16)10-12-4-8-15(9-5-12)13-2-6-14-7-3-13;1-3(2)4/h11-14,16H,2-10H2,1H3;3-4H,1-2H3
InChIKeyGYBMCYQAPMTAIX-UHFFFAOYSA-N
XLogP1.61
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol?
The IUPAC name of 1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol (CID 164865480) is 1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol.
What is the SMILES notation for 1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol?
The canonical SMILES for 1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol is CC(C)O.CC(O)CC1CCN(C2CCNCC2)CC1.
What is the InChIKey of 1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol?
The InChIKey is GYBMCYQAPMTAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C3H8O/c1-11(16)10-12-4-8-15(9-5-12)13-2-6-14-7-3-13;1-3(2)4/h11-14,16H,2-10H2,1H3;3-4H,1-2H3.
What are the key properties of 1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol?
1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol has a molecular weight of 286.46 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol is sourced from PubChem (CID 164865480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).