4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

C16H32N2O — CID 171070473

IUPAC4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
SMILESCCOC1CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-4-19-16-7-9-17(10-8-16)13-15-5-11-18(12-6-15)14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyOWPBWCIVWRKGHT-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.61
Rot. Bonds5

About 4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (PubChem CID 171070473) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
PubChem CID171070473
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
SMILESCCOC1CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-4-19-16-7-9-17(10-8-16)13-15-5-11-18(12-6-15)14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyOWPBWCIVWRKGHT-UHFFFAOYSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of 4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (CID 171070473) is 4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for 4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for 4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is CCOC1CCN(CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The InChIKey is OWPBWCIVWRKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-19-16-7-9-17(10-8-16)13-15-5-11-18(12-6-15)14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine has a molecular weight of 268.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 171070473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).