N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline

C18H30N2O — CID 20560061

IUPACN-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
SMILESCNc1ccc(OC(C)C)cc1CCC1CCCCN1C
InChIInChI=1S/C18H30N2O/c1-14(2)21-17-10-11-18(19-3)15(13-17)8-9-16-7-5-6-12-20(16)4/h10-11,13-14,16,19H,5-9,12H2,1-4H3
InChIKeyKOSBERCCKIARHD-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.93
Rot. Bonds6

About N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline

N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline (PubChem CID 20560061) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
PubChem CID20560061
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
SMILESCNc1ccc(OC(C)C)cc1CCC1CCCCN1C
InChIInChI=1S/C18H30N2O/c1-14(2)21-17-10-11-18(19-3)15(13-17)8-9-16-7-5-6-12-20(16)4/h10-11,13-14,16,19H,5-9,12H2,1-4H3
InChIKeyKOSBERCCKIARHD-UHFFFAOYSA-N
XLogP3.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
CID 20560104
[4-benzamido-3-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] acetate
CID 20560025
N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide
CID 20560031
N-[2-(1-methylpiperidin-2-yl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 62416078
(2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102733
(2R)-1-methyl-2-[[(1R)-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102473
1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911135
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
CID 63249708
[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] N,N-dimethylcarbamate
CID 11011729
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81373836
[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate
CID 91003897
1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone
CID 103801800

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline?
The IUPAC name of N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline (CID 20560061) is N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline?
The canonical SMILES for N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline is CNc1ccc(OC(C)C)cc1CCC1CCCCN1C.
What is the InChIKey of N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline?
The InChIKey is KOSBERCCKIARHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)21-17-10-11-18(19-3)15(13-17)8-9-16-7-5-6-12-20(16)4/h10-11,13-14,16,19H,5-9,12H2,1-4H3.
What are the key properties of N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline?
N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline has a molecular weight of 290.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 20560061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).