1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

C18H32N4O — CID 3880838

IUPAC1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCCN(CC)CC(O)CN1CC(C)N(c2ccccn2)CC1C
InChIInChI=1S/C18H32N4O/c1-5-20(6-2)13-17(23)14-21-11-16(4)22(12-15(21)3)18-9-7-8-10-19-18/h7-10,15-17,23H,5-6,11-14H2,1-4H3
InChIKeyFNPOMCJREKXKJD-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.68
Rot. Bonds7

About 1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 3880838) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID3880838
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCCN(CC)CC(O)CN1CC(C)N(c2ccccn2)CC1C
InChIInChI=1S/C18H32N4O/c1-5-20(6-2)13-17(23)14-21-11-16(4)22(12-15(21)3)18-9-7-8-10-19-18/h7-10,15-17,23H,5-6,11-14H2,1-4H3
InChIKeyFNPOMCJREKXKJD-UHFFFAOYSA-N
XLogP1.68
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 3880838) is 1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is CCN(CC)CC(O)CN1CC(C)N(c2ccccn2)CC1C.
What is the InChIKey of 1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is FNPOMCJREKXKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-5-20(6-2)13-17(23)14-21-11-16(4)22(12-15(21)3)18-9-7-8-10-19-18/h7-10,15-17,23H,5-6,11-14H2,1-4H3.
What are the key properties of 1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 320.48 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(2,5-dimethyl-4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 3880838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).