4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline

C18H30N2O — CID 62865937

IUPAC4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2ccc(OC)cc2C)CC1
InChIInChI=1S/C18H30N2O/c1-5-10-20-11-8-16(9-12-20)15(3)19-18-7-6-17(21-4)13-14(18)2/h6-7,13,15-16,19H,5,8-12H2,1-4H3
InChIKeyMDCUFOGETRRWQX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.93
Rot. Bonds6

About 4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline

4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (PubChem CID 62865937) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
PubChem CID62865937
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2ccc(OC)cc2C)CC1
InChIInChI=1S/C18H30N2O/c1-5-10-20-11-8-16(9-12-20)15(3)19-18-7-6-17(21-4)13-14(18)2/h6-7,13,15-16,19H,5,8-12H2,1-4H3
InChIKeyMDCUFOGETRRWQX-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

4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43308115
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43307485
5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43729427
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
4-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 63329411
2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 82761319
4-methyl-3-[1-(1-propylpiperidin-4-yl)ethylamino]benzonitrile
CID 62105765
2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43677816
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
5-bromo-2-[1-(1-propylpiperidin-4-yl)ethylamino]benzonitrile
CID 82693504
4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43716710
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (CID 62865937) is 4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is CCCN1CCC(C(C)Nc2ccc(OC)cc2C)CC1.
What is the InChIKey of 4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The InChIKey is MDCUFOGETRRWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-10-20-11-8-16(9-12-20)15(3)19-18-7-6-17(21-4)13-14(18)2/h6-7,13,15-16,19H,5,8-12H2,1-4H3.
What are the key properties of 4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline 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 4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 62865937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).