N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine

C19H29ClN2O — CID 174451917

IUPACN-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CCOCCC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN2O/c1-3-11-21(2)14-16-23-15-10-17-8-12-22(13-9-17)19-6-4-18(20)5-7-19/h3-7,17H,1,8-16H2,2H3
InChIKeyQOFAGJVZTHYOLD-UHFFFAOYSA-N
MW336.91 g/mol
LogP4.08
Rot. Bonds9

About N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine

N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine (PubChem CID 174451917) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine
PubChem CID174451917
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CCOCCC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN2O/c1-3-11-21(2)14-16-23-15-10-17-8-12-22(13-9-17)19-6-4-18(20)5-7-19/h3-7,17H,1,8-16H2,2H3
InChIKeyQOFAGJVZTHYOLD-UHFFFAOYSA-N
XLogP4.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 54.08
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 N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine (CID 174451917) is N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine is C=CCN(C)CCOCCC1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine?
The InChIKey is QOFAGJVZTHYOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O/c1-3-11-21(2)14-16-23-15-10-17-8-12-22(13-9-17)19-6-4-18(20)5-7-19/h3-7,17H,1,8-16H2,2H3.
What are the key properties of N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine?
N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine has a molecular weight of 336.91 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 174451917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).