(3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone

C17H24Cl2N2O2 — CID 1479957

IUPAC(3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone
SMILESCCN(CC)CC1(O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N2O2/c1-3-20(4-2)12-17(23)7-9-21(10-8-17)16(22)13-5-6-14(18)15(19)11-13/h5-6,11,23H,3-4,7-10,12H2,1-2H3
InChIKeyIISRGBBUHRSECI-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.30
Rot. Bonds5

About (3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 1479957) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID1479957
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name(3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone
SMILESCCN(CC)CC1(O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N2O2/c1-3-20(4-2)12-17(23)7-9-21(10-8-17)16(22)13-5-6-14(18)15(19)11-13/h5-6,11,23H,3-4,7-10,12H2,1-2H3
InChIKeyIISRGBBUHRSECI-UHFFFAOYSA-N
XLogP3.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone (CID 1479957) is (3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone is CCN(CC)CC1(O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is IISRGBBUHRSECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-3-20(4-2)12-17(23)7-9-21(10-8-17)16(22)13-5-6-14(18)15(19)11-13/h5-6,11,23H,3-4,7-10,12H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 359.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(diethylaminomethyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 1479957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).