1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol

C21H32Cl2N2O2 — CID 4598238

IUPAC1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol
SMILESOC(CNCC1(N2CCCCC2)CCCCC1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H32Cl2N2O2/c22-17-7-8-20(19(23)13-17)27-15-18(26)14-24-16-21(9-3-1-4-10-21)25-11-5-2-6-12-25/h7-8,13,18,24,26H,1-6,9-12,14-16H2
InChIKeyOASGMNNTOQISCE-UHFFFAOYSA-N
MW415.41 g/mol
LogP4.51
Rot. Bonds8

About 1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol

1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol (PubChem CID 4598238) has the molecular formula C21H32Cl2N2O2 and a molecular weight of 415.41 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol
PubChem CID4598238
Molecular FormulaC21H32Cl2N2O2
Molecular Weight415.41 g/mol
Exact Mass414.18
IUPAC Name1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol
SMILESOC(CNCC1(N2CCCCC2)CCCCC1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H32Cl2N2O2/c22-17-7-8-20(19(23)13-17)27-15-18(26)14-24-16-21(9-3-1-4-10-21)25-11-5-2-6-12-25/h7-8,13,18,24,26H,1-6,9-12,14-16H2
InChIKeyOASGMNNTOQISCE-UHFFFAOYSA-N
XLogP4.51
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol (CID 4598238) is 1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol is OC(CNCC1(N2CCCCC2)CCCCC1)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol?
The InChIKey is OASGMNNTOQISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32Cl2N2O2/c22-17-7-8-20(19(23)13-17)27-15-18(26)14-24-16-21(9-3-1-4-10-21)25-11-5-2-6-12-25/h7-8,13,18,24,26H,1-6,9-12,14-16H2.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol?
1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol has a molecular weight of 415.41 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propan-2-ol is sourced from PubChem (CID 4598238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).