3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol

C17H34N2O2 — CID 69065642

IUPAC3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol
SMILESCN1CCC(C(CCO)OCCCC2CCNCC2)CC1
InChIInChI=1S/C17H34N2O2/c1-19-11-6-16(7-12-19)17(8-13-20)21-14-2-3-15-4-9-18-10-5-15/h15-18,20H,2-14H2,1H3
InChIKeyOGZMVJDQHHNLTF-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.88
Rot. Bonds8

About 3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol

3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol (PubChem CID 69065642) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol
PubChem CID69065642
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol
SMILESCN1CCC(C(CCO)OCCCC2CCNCC2)CC1
InChIInChI=1S/C17H34N2O2/c1-19-11-6-16(7-12-19)17(8-13-20)21-14-2-3-15-4-9-18-10-5-15/h15-18,20H,2-14H2,1H3
InChIKeyOGZMVJDQHHNLTF-UHFFFAOYSA-N
XLogP1.88
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol (CID 69065642) is 3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol is CN1CCC(C(CCO)OCCCC2CCNCC2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol?
The InChIKey is OGZMVJDQHHNLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-19-11-6-16(7-12-19)17(8-13-20)21-14-2-3-15-4-9-18-10-5-15/h15-18,20H,2-14H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol?
3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol has a molecular weight of 298.47 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-3-(3-piperidin-4-ylpropoxy)propan-1-ol is sourced from PubChem (CID 69065642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).