2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline

C15H22N2O2 — CID 164888733

IUPAC2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline
SMILESNc1ccc(C2CCNCC2)cc1OC1CCOC1
InChIInChI=1S/C15H22N2O2/c16-14-2-1-12(11-3-6-17-7-4-11)9-15(14)19-13-5-8-18-10-13/h1-2,9,11,13,17H,3-8,10,16H2
InChIKeyZRKNGJHPDLUBBO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.90
Rot. Bonds3

About 2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline

2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline (PubChem CID 164888733) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline
PubChem CID164888733
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline
SMILESNc1ccc(C2CCNCC2)cc1OC1CCOC1
InChIInChI=1S/C15H22N2O2/c16-14-2-1-12(11-3-6-17-7-4-11)9-15(14)19-13-5-8-18-10-13/h1-2,9,11,13,17H,3-8,10,16H2
InChIKeyZRKNGJHPDLUBBO-UHFFFAOYSA-N
XLogP1.90
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
CID 117452446
2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
CID 143034204
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine
CID 117423041
4-[2-[(3R)-oxolan-3-yl]oxyphenyl]piperidine
CID 156722278
2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
CID 166611371
4-(oxolan-3-yloxy)naphthalen-1-amine
CID 63690299
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide
CID 55218798
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
CID 117470799
3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
CID 106949868
4-[2-methoxy-5-(oxolan-3-yl)phenyl]piperidine
CID 117408137
7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline
CID 68693804

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline?
The IUPAC name of 2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline (CID 164888733) is 2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline.
What is the SMILES notation for 2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline?
The canonical SMILES for 2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline is Nc1ccc(C2CCNCC2)cc1OC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline?
The InChIKey is ZRKNGJHPDLUBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14-2-1-12(11-3-6-17-7-4-11)9-15(14)19-13-5-8-18-10-13/h1-2,9,11,13,17H,3-8,10,16H2.
What are the key properties of 2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline?
2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline has a molecular weight of 262.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline is sourced from PubChem (CID 164888733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).