3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol

C17H26N2O2 — CID 103904817

IUPAC3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol
SMILESOC1(CNC2CCCN(Cc3ccccc3)C2)CCOC1
InChIInChI=1S/C17H26N2O2/c20-17(8-10-21-14-17)13-18-16-7-4-9-19(12-16)11-15-5-2-1-3-6-15/h1-3,5-6,16,18,20H,4,7-14H2
InChIKeyOLSXVCVHBUCMKW-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.39
Rot. Bonds5

About 3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol

3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol (PubChem CID 103904817) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol
PubChem CID103904817
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol
SMILESOC1(CNC2CCCN(Cc3ccccc3)C2)CCOC1
InChIInChI=1S/C17H26N2O2/c20-17(8-10-21-14-17)13-18-16-7-4-9-19(12-16)11-15-5-2-1-3-6-15/h1-3,5-6,16,18,20H,4,7-14H2
InChIKeyOLSXVCVHBUCMKW-UHFFFAOYSA-N
XLogP1.39
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol (CID 103904817) is 3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol is OC1(CNC2CCCN(Cc3ccccc3)C2)CCOC1.
What is the InChIKey of 3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol?
The InChIKey is OLSXVCVHBUCMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-17(8-10-21-14-17)13-18-16-7-4-9-19(12-16)11-15-5-2-1-3-6-15/h1-3,5-6,16,18,20H,4,7-14H2.
What are the key properties of 3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol?
3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol has a molecular weight of 290.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).