N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline

C17H28N2O2 — CID 43307671

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
SMILESCCN1CCCC(C(C)Nc2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C17H28N2O2/c1-5-19-8-6-7-14(12-19)13(2)18-15-9-16(20-3)11-17(10-15)21-4/h9-11,13-14,18H,5-8,12H2,1-4H3
InChIKeyJBKRNKUQNUQVKE-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.24
Rot. Bonds6

About N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline

N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline (PubChem CID 43307671) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
PubChem CID43307671
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
SMILESCCN1CCCC(C(C)Nc2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C17H28N2O2/c1-5-19-8-6-7-14(12-19)13(2)18-15-9-16(20-3)11-17(10-15)21-4/h9-11,13-14,18H,5-8,12H2,1-4H3
InChIKeyJBKRNKUQNUQVKE-UHFFFAOYSA-N
XLogP3.24
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700
N-(1-cyclopentylethyl)-3,5-dimethoxyaniline
CID 62632607
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307943
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43307675
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline
CID 43307335
N-[3-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43307791
[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea
CID 43744846
2,5-dichloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 43307449
4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 107620998
5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one
CID 60942690

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline (CID 43307671) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline is CCN1CCCC(C(C)Nc2cc(OC)cc(OC)c2)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline?
The InChIKey is JBKRNKUQNUQVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-19-8-6-7-14(12-19)13(2)18-15-9-16(20-3)11-17(10-15)21-4/h9-11,13-14,18H,5-8,12H2,1-4H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline has a molecular weight of 292.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 43307671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).