(1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol

C16H21N3O2 — CID 97039029

IUPAC(1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
SMILESO[C@@H](CN1CCN(Cc2ccccn2)CC1)c1ccco1
InChIInChI=1S/C16H21N3O2/c20-15(16-5-3-11-21-16)13-19-9-7-18(8-10-19)12-14-4-1-2-6-17-14/h1-6,11,15,20H,7-10,12-13H2/t15-/m0/s1
InChIKeyFVOZQPFAKHAWTH-HNNXBMFYSA-N
MW287.36 g/mol
LogP1.53
Rot. Bonds5

About (1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol

(1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 97039029) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
PubChem CID97039029
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
SMILESO[C@@H](CN1CCN(Cc2ccccn2)CC1)c1ccco1
InChIInChI=1S/C16H21N3O2/c20-15(16-5-3-11-21-16)13-19-9-7-18(8-10-19)12-14-4-1-2-6-17-14/h1-6,11,15,20H,7-10,12-13H2/t15-/m0/s1
InChIKeyFVOZQPFAKHAWTH-HNNXBMFYSA-N
XLogP1.53
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol (CID 97039029) is (1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol is O[C@@H](CN1CCN(Cc2ccccn2)CC1)c1ccco1.
What is the InChIKey of (1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is FVOZQPFAKHAWTH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(16-5-3-11-21-16)13-19-9-7-18(8-10-19)12-14-4-1-2-6-17-14/h1-6,11,15,20H,7-10,12-13H2/t15-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol?
(1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 287.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 97039029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).