(1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol

C15H23N3O — CID 97038989

IUPAC(1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol
SMILESO[C@@H](CN1CCN(Cc2cccnc2)CC1)C1CC1
InChIInChI=1S/C15H23N3O/c19-15(14-3-4-14)12-18-8-6-17(7-9-18)11-13-2-1-5-16-10-13/h1-2,5,10,14-15,19H,3-4,6-9,11-12H2/t15-/m0/s1
InChIKeyWKVAJTRTLIUGJT-HNNXBMFYSA-N
MW261.37 g/mol
LogP0.97
Rot. Bonds5

About (1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol

(1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 97038989) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol
PubChem CID97038989
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol
SMILESO[C@@H](CN1CCN(Cc2cccnc2)CC1)C1CC1
InChIInChI=1S/C15H23N3O/c19-15(14-3-4-14)12-18-8-6-17(7-9-18)11-13-2-1-5-16-10-13/h1-2,5,10,14-15,19H,3-4,6-9,11-12H2/t15-/m0/s1
InChIKeyWKVAJTRTLIUGJT-HNNXBMFYSA-N
XLogP0.97
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol (CID 97038989) is (1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol is O[C@@H](CN1CCN(Cc2cccnc2)CC1)C1CC1.
What is the InChIKey of (1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is WKVAJTRTLIUGJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15(14-3-4-14)12-18-8-6-17(7-9-18)11-13-2-1-5-16-10-13/h1-2,5,10,14-15,19H,3-4,6-9,11-12H2/t15-/m0/s1.
What are the key properties of (1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol?
(1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 261.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 97038989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).