3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline

C14H21ClN2O — CID 163241524

IUPAC3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline
SMILESCOCCC1CCCCN1c1c(N)cccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-18-10-8-11-5-2-3-9-17(11)14-12(15)6-4-7-13(14)16/h4,6-7,11H,2-3,5,8-10,16H2,1H3
InChIKeyNIKCYBHZVCSBHP-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.32
Rot. Bonds4

About 3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline

3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline (PubChem CID 163241524) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline
PubChem CID163241524
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline
SMILESCOCCC1CCCCN1c1c(N)cccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-18-10-8-11-5-2-3-9-17(11)14-12(15)6-4-7-13(14)16/h4,6-7,11H,2-3,5,8-10,16H2,1H3
InChIKeyNIKCYBHZVCSBHP-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine
CID 163241518
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
5-[3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]anilino]sulfanyl-N,N-dimethylthiophene-2-sulfonamide
CID 163241487
methyl 3-amino-2-[2-(hydroxymethyl)azepan-1-yl]benzoate
CID 116636830
3-amino-2-(2-ethylpiperidin-1-yl)benzamide
CID 112578014
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline
CID 115550464
3-chloro-2-(4-ethoxypiperidin-1-yl)aniline
CID 61220696
2-[1-(2-chlorophenyl)piperidin-2-yl]ethanamine
CID 82388545
1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 114067818
3-chloro-2-piperidin-1-ylaniline;dihydrochloride
CID 53412034
[1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 114068349
3-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 61102885

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline?
The IUPAC name of 3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline (CID 163241524) is 3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline.
What is the SMILES notation for 3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline?
The canonical SMILES for 3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline is COCCC1CCCCN1c1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline?
The InChIKey is NIKCYBHZVCSBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-18-10-8-11-5-2-3-9-17(11)14-12(15)6-4-7-13(14)16/h4,6-7,11H,2-3,5,8-10,16H2,1H3.
What are the key properties of 3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline?
3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline has a molecular weight of 268.79 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(2-methoxyethyl)piperidin-1-yl]aniline is sourced from PubChem (CID 163241524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).