4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine

C20H31ClN2O — CID 174451919

IUPAC4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine
SMILESC=CCN(C)CCCCOCC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H31ClN2O/c1-3-12-22(2)13-4-5-16-24-17-18-10-14-23(15-11-18)20-8-6-19(21)7-9-20/h3,6-9,18H,1,4-5,10-17H2,2H3
InChIKeyMHZNPQIQCHOOMA-UHFFFAOYSA-N
MW350.93 g/mol
LogP4.47
Rot. Bonds10

About 4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine

4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine (PubChem CID 174451919) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine
PubChem CID174451919
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine
SMILESC=CCN(C)CCCCOCC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H31ClN2O/c1-3-12-22(2)13-4-5-16-24-17-18-10-14-23(15-11-18)20-8-6-19(21)7-9-20/h3,6-9,18H,1,4-5,10-17H2,2H3
InChIKeyMHZNPQIQCHOOMA-UHFFFAOYSA-N
XLogP4.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine?
The IUPAC name of 4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine (CID 174451919) is 4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine?
The canonical SMILES for 4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine is C=CCN(C)CCCCOCC1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine?
The InChIKey is MHZNPQIQCHOOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O/c1-3-12-22(2)13-4-5-16-24-17-18-10-14-23(15-11-18)20-8-6-19(21)7-9-20/h3,6-9,18H,1,4-5,10-17H2,2H3.
What are the key properties of 4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine?
4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine has a molecular weight of 350.93 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine is sourced from PubChem (CID 174451919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).