N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine

C17H28N2 — CID 54863063

IUPACN-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCc1ccc(C(C)NC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-13-5-7-16(8-6-13)14(2)18-15(3)17-9-11-19(4)12-10-17/h5-8,14-15,17-18H,9-12H2,1-4H3
InChIKeyJNPRTADAFCGEOM-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine

N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 54863063) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID54863063
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCc1ccc(C(C)NC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-13-5-7-16(8-6-13)14(2)18-15(3)17-9-11-19(4)12-10-17/h5-8,14-15,17-18H,9-12H2,1-4H3
InChIKeyJNPRTADAFCGEOM-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 81371064
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43689421
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43685208
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine
CID 43685360

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine (CID 54863063) is N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine is Cc1ccc(C(C)NC(C)C2CCN(C)CC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is JNPRTADAFCGEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-5-7-16(8-6-13)14(2)18-15(3)17-9-11-19(4)12-10-17/h5-8,14-15,17-18H,9-12H2,1-4H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 54863063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).