N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine

C20H34N2O — CID 134132824

IUPACN-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine
SMILESCCC(C)(C)c1ccc(COC2CCN(CCNC)CC2)cc1
InChIInChI=1S/C20H34N2O/c1-5-20(2,3)18-8-6-17(7-9-18)16-23-19-10-13-22(14-11-19)15-12-21-4/h6-9,19,21H,5,10-16H2,1-4H3
InChIKeyMJBSRPRJLFEYAZ-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.57
Rot. Bonds8

About N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine

N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine (PubChem CID 134132824) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine
PubChem CID134132824
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC NameN-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine
SMILESCCC(C)(C)c1ccc(COC2CCN(CCNC)CC2)cc1
InChIInChI=1S/C20H34N2O/c1-5-20(2,3)18-8-6-17(7-9-18)16-23-19-10-13-22(14-11-19)15-12-21-4/h6-9,19,21H,5,10-16H2,1-4H3
InChIKeyMJBSRPRJLFEYAZ-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine (CID 134132824) is N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine is CCC(C)(C)c1ccc(COC2CCN(CCNC)CC2)cc1.
What is the InChIKey of N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The InChIKey is MJBSRPRJLFEYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-5-20(2,3)18-8-6-17(7-9-18)16-23-19-10-13-22(14-11-19)15-12-21-4/h6-9,19,21H,5,10-16H2,1-4H3.
What are the key properties of N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine?
N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine has a molecular weight of 318.50 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[4-(2-methylbutan-2-yl)phenyl]methoxy]piperidin-1-yl]ethanamine is sourced from PubChem (CID 134132824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).