1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine

C15H30N2O — CID 107069107

IUPAC1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine
SMILESCCCOC1CCCN(CC2NCCCC2C)C1
InChIInChI=1S/C15H30N2O/c1-3-10-18-14-7-5-9-17(11-14)12-15-13(2)6-4-8-16-15/h13-16H,3-12H2,1-2H3
InChIKeyYGIIFVDORDHBEI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About 1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine

1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine (PubChem CID 107069107) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine.

Molecular Properties

Compound Name1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine
PubChem CID107069107
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine
SMILESCCCOC1CCCN(CC2NCCCC2C)C1
InChIInChI=1S/C15H30N2O/c1-3-10-18-14-7-5-9-17(11-14)12-15-13(2)6-4-8-16-15/h13-16H,3-12H2,1-2H3
InChIKeyYGIIFVDORDHBEI-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine?
The IUPAC name of 1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine (CID 107069107) is 1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine.
What is the SMILES notation for 1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine?
The canonical SMILES for 1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine is CCCOC1CCCN(CC2NCCCC2C)C1.
What is the InChIKey of 1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine?
The InChIKey is YGIIFVDORDHBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-10-18-14-7-5-9-17(11-14)12-15-13(2)6-4-8-16-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine?
1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine is sourced from PubChem (CID 107069107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).