[(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol

C16H25N3O — CID 97112858

IUPAC[(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol
SMILESCc1cnc(C)c(N2CCC[C@@](CO)(CC3CC3)C2)n1
InChIInChI=1S/C16H25N3O/c1-12-9-17-13(2)15(18-12)19-7-3-6-16(10-19,11-20)8-14-4-5-14/h9,14,20H,3-8,10-11H2,1-2H3/t16-/m1/s1
InChIKeyXDIYUHLKHXLTIM-MRXNPFEDSA-N
MW275.40 g/mol
LogP2.47
Rot. Bonds4

About [(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol

[(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol (PubChem CID 97112858) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol
PubChem CID97112858
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol
SMILESCc1cnc(C)c(N2CCC[C@@](CO)(CC3CC3)C2)n1
InChIInChI=1S/C16H25N3O/c1-12-9-17-13(2)15(18-12)19-7-3-6-16(10-19,11-20)8-14-4-5-14/h9,14,20H,3-8,10-11H2,1-2H3/t16-/m1/s1
InChIKeyXDIYUHLKHXLTIM-MRXNPFEDSA-N
XLogP2.47
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol (CID 97112858) is [(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol is Cc1cnc(C)c(N2CCC[C@@](CO)(CC3CC3)C2)n1.
What is the InChIKey of [(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol?
The InChIKey is XDIYUHLKHXLTIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-9-17-13(2)15(18-12)19-7-3-6-16(10-19,11-20)8-14-4-5-14/h9,14,20H,3-8,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol?
[(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol has a molecular weight of 275.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 97112858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).