5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

C20H32N2O — CID 172562601

IUPAC5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CCNCC1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C20H32N2O/c1-3-13-22(15-16-9-11-21-12-10-16)18-7-8-19-17(14-18)5-4-6-20(19)23-2/h4-6,16,18,21H,3,7-15H2,1-2H3
InChIKeyLNIQMVOMGSIQJU-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.26
Rot. Bonds6

About 5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 172562601) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID172562601
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CCNCC1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C20H32N2O/c1-3-13-22(15-16-9-11-21-12-10-16)18-7-8-19-17(14-18)5-4-6-20(19)23-2/h4-6,16,18,21H,3,7-15H2,1-2H3
InChIKeyLNIQMVOMGSIQJU-UHFFFAOYSA-N
XLogP3.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 172562601) is 5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CC1CCNCC1)C1CCc2c(cccc2OC)C1.
What is the InChIKey of 5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is LNIQMVOMGSIQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-13-22(15-16-9-11-21-12-10-16)18-7-8-19-17(14-18)5-4-6-20(19)23-2/h4-6,16,18,21H,3,7-15H2,1-2H3.
What are the key properties of 5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 316.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 172562601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).