4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine

C19H30N2O — CID 129300113

IUPAC4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine
SMILESCC1CCN(CCOc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C19H30N2O/c1-17-9-13-20(14-10-17)15-16-22-19-7-5-18(6-8-19)21-11-3-2-4-12-21/h5-8,17H,2-4,9-16H2,1H3
InChIKeyYUPRNIBXIJYFNC-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.79
Rot. Bonds5

About 4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine

4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine (PubChem CID 129300113) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine
PubChem CID129300113
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine
SMILESCC1CCN(CCOc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C19H30N2O/c1-17-9-13-20(14-10-17)15-16-22-19-7-5-18(6-8-19)21-11-3-2-4-12-21/h5-8,17H,2-4,9-16H2,1H3
InChIKeyYUPRNIBXIJYFNC-UHFFFAOYSA-N
XLogP3.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride
CID 86567482
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidine-4-carbaldehyde
CID 87150007
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide
CID 63625792
4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2270733
3-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 78971549
1-ethoxy-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100730558
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100691827

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine?
The IUPAC name of 4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine (CID 129300113) is 4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine is CC1CCN(CCOc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine?
The InChIKey is YUPRNIBXIJYFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-17-9-13-20(14-10-17)15-16-22-19-7-5-18(6-8-19)21-11-3-2-4-12-21/h5-8,17H,2-4,9-16H2,1H3.
What are the key properties of 4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine?
4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine has a molecular weight of 302.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine is sourced from PubChem (CID 129300113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).