(1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol

C11H16ClN3O — CID 129495606

IUPAC(1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCN(c2nccnc2Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-8(16)9-3-2-6-15(7-9)11-10(12)13-4-5-14-11/h4-5,8-9,16H,2-3,6-7H2,1H3/t8-,9+/m1/s1
InChIKeyHKEQSNYISXHDHK-BDAKNGLRSA-N
MW241.72 g/mol
LogP1.73
Rot. Bonds2

About (1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol

(1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol (PubChem CID 129495606) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol
PubChem CID129495606
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCN(c2nccnc2Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-8(16)9-3-2-6-15(7-9)11-10(12)13-4-5-14-11/h4-5,8-9,16H,2-3,6-7H2,1H3/t8-,9+/m1/s1
InChIKeyHKEQSNYISXHDHK-BDAKNGLRSA-N
XLogP1.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol (CID 129495606) is (1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol is C[C@@H](O)[C@H]1CCCN(c2nccnc2Cl)C1.
What is the InChIKey of (1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol?
The InChIKey is HKEQSNYISXHDHK-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(16)9-3-2-6-15(7-9)11-10(12)13-4-5-14-11/h4-5,8-9,16H,2-3,6-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol?
(1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol has a molecular weight of 241.72 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 129495606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).