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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Related Compounds

2-[1-[1-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylpropanamide
CID 161189947
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119852070
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
(E)-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 166419448
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 134010431
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 46571303
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol
CID 8528818
[1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate
CID 90971146
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122052880
2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]amino]-N,N,2-trimethylpropanamide
CID 75436874

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).