1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine

C16H32N2O — CID 63129663

IUPAC1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine
SMILESCCCOC1CCCN(CC2(CC)CCNCC2)C1
InChIInChI=1S/C16H32N2O/c1-3-12-19-15-6-5-11-18(13-15)14-16(4-2)7-9-17-10-8-16/h15,17H,3-14H2,1-2H3
InChIKeyNWDAQPXKGVEGEE-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds6

About 1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine

1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine (PubChem CID 63129663) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine.

Molecular Properties

Compound Name1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine
PubChem CID63129663
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine
SMILESCCCOC1CCCN(CC2(CC)CCNCC2)C1
InChIInChI=1S/C16H32N2O/c1-3-12-19-15-6-5-11-18(13-15)14-16(4-2)7-9-17-10-8-16/h15,17H,3-14H2,1-2H3
InChIKeyNWDAQPXKGVEGEE-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine?
The IUPAC name of 1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine (CID 63129663) is 1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine.
What is the SMILES notation for 1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine?
The canonical SMILES for 1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine is CCCOC1CCCN(CC2(CC)CCNCC2)C1.
What is the InChIKey of 1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine?
The InChIKey is NWDAQPXKGVEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-12-19-15-6-5-11-18(13-15)14-16(4-2)7-9-17-10-8-16/h15,17H,3-14H2,1-2H3.
What are the key properties of 1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine?
1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine is sourced from PubChem (CID 63129663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).