N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine

C15H24N2 — CID 43283904

IUPACN-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C15H24N2/c1-12-8-10-17(11-9-12)15-6-4-14(5-7-15)13(2)16-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyQRNBLKHDKIUPFK-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.20
Rot. Bonds3

About N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine

N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 43283904) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID43283904
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C15H24N2/c1-12-8-10-17(11-9-12)15-6-4-14(5-7-15)13(2)16-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyQRNBLKHDKIUPFK-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
CID 43284297
N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
CID 43586115
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 56921459
2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one
CID 83971788
2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 99994165
2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100711058
4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
CID 43508068
N-methyl-1-[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62973065
[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590379
N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 106314718
(3S)-1-methyl-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 99970531

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine (CID 43283904) is N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine is CNC(C)c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is QRNBLKHDKIUPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-8-10-17(11-9-12)15-6-4-14(5-7-15)13(2)16-3/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine?
N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 43283904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).