4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline

C14H22N2O — CID 40788770

IUPAC4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
SMILESC[C@@H]1CCCN(CCOc2ccc(N)cc2)C1
InChIInChI=1S/C14H22N2O/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14/h4-7,12H,2-3,8-11,15H2,1H3/t12-/m1/s1
InChIKeyZCHHQXRDJOPTAX-GFCCVEGCSA-N
MW234.34 g/mol
LogP2.38
Rot. Bonds4

About 4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline

4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline (PubChem CID 40788770) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
PubChem CID40788770
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
SMILESC[C@@H]1CCCN(CCOc2ccc(N)cc2)C1
InChIInChI=1S/C14H22N2O/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14/h4-7,12H,2-3,8-11,15H2,1H3/t12-/m1/s1
InChIKeyZCHHQXRDJOPTAX-GFCCVEGCSA-N
XLogP2.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexan-1-amine
CID 143322433
4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine
CID 77091167
1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166050
4-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]benzaldehyde
CID 7379881
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide
CID 133179595
4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline
CID 55040511
2-amino-4-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406549
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline?
The IUPAC name of 4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline (CID 40788770) is 4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline.
What is the SMILES notation for 4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline?
The canonical SMILES for 4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline is C[C@@H]1CCCN(CCOc2ccc(N)cc2)C1.
What is the InChIKey of 4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline?
The InChIKey is ZCHHQXRDJOPTAX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14/h4-7,12H,2-3,8-11,15H2,1H3/t12-/m1/s1.
What are the key properties of 4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline?
4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline is sourced from PubChem (CID 40788770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).