2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide

C19H29ClN2O2 — CID 161338568

IUPAC2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide
SMILESCC(c1ccccc1Cl)N1CCC(O)(C(C)(C)C(=O)N(C)C)CC1
InChIInChI=1S/C19H29ClN2O2/c1-14(15-8-6-7-9-16(15)20)22-12-10-19(24,11-13-22)18(2,3)17(23)21(4)5/h6-9,14,24H,10-13H2,1-5H3
InChIKeyVMJDUKOUKQRIDS-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.34
Rot. Bonds4

About 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide

2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide (PubChem CID 161338568) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide
PubChem CID161338568
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide
SMILESCC(c1ccccc1Cl)N1CCC(O)(C(C)(C)C(=O)N(C)C)CC1
InChIInChI=1S/C19H29ClN2O2/c1-14(15-8-6-7-9-16(15)20)22-12-10-19(24,11-13-22)18(2,3)17(23)21(4)5/h6-9,14,24H,10-13H2,1-5H3
InChIKeyVMJDUKOUKQRIDS-UHFFFAOYSA-N
XLogP3.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide (CID 161338568) is 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide is CC(c1ccccc1Cl)N1CCC(O)(C(C)(C)C(=O)N(C)C)CC1.
What is the InChIKey of 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide?
The InChIKey is VMJDUKOUKQRIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-14(15-8-6-7-9-16(15)20)22-12-10-19(24,11-13-22)18(2,3)17(23)21(4)5/h6-9,14,24H,10-13H2,1-5H3.
What are the key properties of 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide?
2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide has a molecular weight of 352.91 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 161338568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).