[(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol

C14H24N4O — CID 97122938

IUPAC[(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol
SMILESCC[C@]1(CO)CCCN(c2cncc(N(C)C)n2)C1
InChIInChI=1S/C14H24N4O/c1-4-14(11-19)6-5-7-18(10-14)13-9-15-8-12(16-13)17(2)3/h8-9,19H,4-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyLLJKYCOCMOOCFA-AWEZNQCLSA-N
MW264.37 g/mol
LogP1.53
Rot. Bonds4

About [(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol

[(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol (PubChem CID 97122938) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol
PubChem CID97122938
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol
SMILESCC[C@]1(CO)CCCN(c2cncc(N(C)C)n2)C1
InChIInChI=1S/C14H24N4O/c1-4-14(11-19)6-5-7-18(10-14)13-9-15-8-12(16-13)17(2)3/h8-9,19H,4-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyLLJKYCOCMOOCFA-AWEZNQCLSA-N
XLogP1.53
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol (CID 97122938) is [(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol is CC[C@]1(CO)CCCN(c2cncc(N(C)C)n2)C1.
What is the InChIKey of [(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol?
The InChIKey is LLJKYCOCMOOCFA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-14(11-19)6-5-7-18(10-14)13-9-15-8-12(16-13)17(2)3/h8-9,19H,4-7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of [(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol?
[(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[6-(dimethylamino)pyrazin-2-yl]-3-ethylpiperidin-3-yl]methanol is sourced from PubChem (CID 97122938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).