(2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol

C17H35N3O2 — CID 96540838

IUPAC(2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCCCN1CCC(N2CCN(C[C@@H](O)COCC)CC2)CC1
InChIInChI=1S/C17H35N3O2/c1-3-7-18-8-5-16(6-9-18)20-12-10-19(11-13-20)14-17(21)15-22-4-2/h16-17,21H,3-15H2,1-2H3/t17-/m1/s1
InChIKeyRTFDRZQMGCSSSA-QGZVFWFLSA-N
MW313.49 g/mol
LogP0.88
Rot. Bonds8

About (2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol

(2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 96540838) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is (2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID96540838
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name(2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCCCN1CCC(N2CCN(C[C@@H](O)COCC)CC2)CC1
InChIInChI=1S/C17H35N3O2/c1-3-7-18-8-5-16(6-9-18)20-12-10-19(11-13-20)14-17(21)15-22-4-2/h16-17,21H,3-15H2,1-2H3/t17-/m1/s1
InChIKeyRTFDRZQMGCSSSA-QGZVFWFLSA-N
XLogP0.88
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol (CID 96540838) is (2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol is CCCN1CCC(N2CCN(C[C@@H](O)COCC)CC2)CC1.
What is the InChIKey of (2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is RTFDRZQMGCSSSA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-3-7-18-8-5-16(6-9-18)20-12-10-19(11-13-20)14-17(21)15-22-4-2/h16-17,21H,3-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol?
(2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 313.49 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethoxy-3-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 96540838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).