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

C17H28N2O — CID 43307485

IUPAC2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2ccccc2OC)CC1
InChIInChI=1S/C17H28N2O/c1-4-11-19-12-9-15(10-13-19)14(2)18-16-7-5-6-8-17(16)20-3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyDELWVSLTKOHJHW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.62
Rot. Bonds6

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

2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (PubChem CID 43307485) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
PubChem CID43307485
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2ccccc2OC)CC1
InChIInChI=1S/C17H28N2O/c1-4-11-19-12-9-15(10-13-19)14(2)18-16-7-5-6-8-17(16)20-3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyDELWVSLTKOHJHW-UHFFFAOYSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43677816
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
CID 43739139
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline
CID 43682215
4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 62865937
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 65467589
2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 82761319
4-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 63329411
4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43308115
5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43729427

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (CID 43307485) is 2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is CCCN1CCC(C(C)Nc2ccccc2OC)CC1.
What is the InChIKey of 2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The InChIKey is DELWVSLTKOHJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-11-19-12-9-15(10-13-19)14(2)18-16-7-5-6-8-17(16)20-3/h5-8,14-15,18H,4,9-13H2,1-3H3.
What are the key properties of 2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline has a molecular weight of 276.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 43307485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).