(1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol

C19H31N3O2 — CID 124729643

IUPAC(1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCC(C)COc1cncc(N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)n1
InChIInChI=1S/C19H31N3O2/c1-13(2)12-24-19-11-20-10-18(21-19)22-8-4-5-16(22)15-9-14(3)6-7-17(15)23/h10-11,13-17,23H,4-9,12H2,1-3H3/t14-,15-,16+,17+/m0/s1
InChIKeyGOGNHSVJWQUFDH-MWDXBVQZSA-N
MW333.48 g/mol
LogP3.28
Rot. Bonds5

About (1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol

(1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 124729643) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID124729643
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCC(C)COc1cncc(N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)n1
InChIInChI=1S/C19H31N3O2/c1-13(2)12-24-19-11-20-10-18(21-19)22-8-4-5-16(22)15-9-14(3)6-7-17(15)23/h10-11,13-17,23H,4-9,12H2,1-3H3/t14-,15-,16+,17+/m0/s1
InChIKeyGOGNHSVJWQUFDH-MWDXBVQZSA-N
XLogP3.28
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 124729643) is (1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol is CC(C)COc1cncc(N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)n1.
What is the InChIKey of (1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is GOGNHSVJWQUFDH-MWDXBVQZSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(2)12-24-19-11-20-10-18(21-19)22-8-4-5-16(22)15-9-14(3)6-7-17(15)23/h10-11,13-17,23H,4-9,12H2,1-3H3/t14-,15-,16+,17+/m0/s1.
What are the key properties of (1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol?
(1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 333.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-4-methyl-2-[(2R)-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 124729643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).