4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline

C13H19ClN2O — CID 69019788

IUPAC4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
SMILESCN1CCC(COc2cc(N)ccc2Cl)CC1
InChIInChI=1S/C13H19ClN2O/c1-16-6-4-10(5-7-16)9-17-13-8-11(15)2-3-12(13)14/h2-3,8,10H,4-7,9,15H2,1H3
InChIKeyUXCNKEUWJZAWNU-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.64
Rot. Bonds3

About 4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline

4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline (PubChem CID 69019788) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline.

Molecular Properties

Compound Name4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
PubChem CID69019788
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
SMILESCN1CCC(COc2cc(N)ccc2Cl)CC1
InChIInChI=1S/C13H19ClN2O/c1-16-6-4-10(5-7-16)9-17-13-8-11(15)2-3-12(13)14/h2-3,8,10H,4-7,9,15H2,1H3
InChIKeyUXCNKEUWJZAWNU-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.64
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

4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 46942138
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201751
4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117445254
4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline
CID 57021873
4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
CID 143666320
O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117327701
3,5-dichloro-4-[(1-methylpiperidin-4-yl)methoxy]phenol
CID 59205675
5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
CID 130549167
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117326029

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline?
The IUPAC name of 4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline (CID 69019788) is 4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline.
What is the SMILES notation for 4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline?
The canonical SMILES for 4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline is CN1CCC(COc2cc(N)ccc2Cl)CC1.
What is the InChIKey of 4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline?
The InChIKey is UXCNKEUWJZAWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16-6-4-10(5-7-16)9-17-13-8-11(15)2-3-12(13)14/h2-3,8,10H,4-7,9,15H2,1H3.
What are the key properties of 4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline?
4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline has a molecular weight of 254.76 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline is sourced from PubChem (CID 69019788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).