2-methoxy-5-piperidin-2-ylaniline

C12H18N2O — CID 117116326

IUPAC2-methoxy-5-piperidin-2-ylaniline
SMILESCOc1ccc(C2CCCCN2)cc1N
InChIInChI=1S/C12H18N2O/c1-15-12-6-5-9(8-10(12)13)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7,13H2,1H3
InChIKeyUDLNRVODCZTRIK-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.09
Rot. Bonds2

About 2-methoxy-5-piperidin-2-ylaniline

2-methoxy-5-piperidin-2-ylaniline (PubChem CID 117116326) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methoxy-5-piperidin-2-ylaniline.

Molecular Properties

Compound Name2-methoxy-5-piperidin-2-ylaniline
PubChem CID117116326
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methoxy-5-piperidin-2-ylaniline
SMILESCOc1ccc(C2CCCCN2)cc1N
InChIInChI=1S/C12H18N2O/c1-15-12-6-5-9(8-10(12)13)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7,13H2,1H3
InChIKeyUDLNRVODCZTRIK-UHFFFAOYSA-N
XLogP2.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-methyl-5-piperidin-2-ylaniline
CID 55272863
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
CID 171195107
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine
CID 117492466
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 66519768
2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
CID 66518962
4-(2-methoxy-4-piperidin-2-ylphenoxy)-1-methylpiperidine
CID 117489913
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-piperidin-2-ylaniline?
The IUPAC name of 2-methoxy-5-piperidin-2-ylaniline (CID 117116326) is 2-methoxy-5-piperidin-2-ylaniline.
What is the SMILES notation for 2-methoxy-5-piperidin-2-ylaniline?
The canonical SMILES for 2-methoxy-5-piperidin-2-ylaniline is COc1ccc(C2CCCCN2)cc1N.
What is the InChIKey of 2-methoxy-5-piperidin-2-ylaniline?
The InChIKey is UDLNRVODCZTRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-12-6-5-9(8-10(12)13)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7,13H2,1H3.
What are the key properties of 2-methoxy-5-piperidin-2-ylaniline?
2-methoxy-5-piperidin-2-ylaniline has a molecular weight of 206.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-piperidin-2-ylaniline is sourced from PubChem (CID 117116326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).